Code9GF
Name2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
Synonyms
Identifier5-(2-methyloctan-2-yl)-2-[(1~{R},2~{R},5~{R})-5-oxidanyl-2-(3-oxidanylpropyl)cyclohexyl]phenol
FormulaC24 H40 O3
Molecular Weight376.573
SMILESCCCCCCC(C)(C)c1ccc(c(c1)O)[C@@H]2C[C@@H](CC[C@H]2CCCO)O
PubChem104895
Formal Charge0
Total Atoms67
Total Chiral Atoms3
Total Bonds68
Total Aromatic Bonds6
Networks5
 missing image

This ligand is also present in the following 5 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6KQI A Lipid Cannabinoid CB1 Homo sapiens PubMed 104895 ORG27569 - 3.25 2019-10-23 10.1038/s41589-019-0387-2

A 2D representation of the interactions of 9GF in 6KQI
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:F177 R:R:I105 5.02 1 Yes No 4 3 1 2
R:R:F177 R:R:M109 4.98 1 Yes No 4 3 1 2
R:R:I119 R:R:L111 4.28 0 Yes No 5 4 2 2
R:R:H178 R:R:L111 7.71 1 Yes No 4 4 1 2
R:R:F174 R:R:I119 5.02 1 Yes Yes 5 5 1 2
R:R:F170 R:R:F174 5.36 1 Yes Yes 7 5 1 1
R:R:F170 R:R:V196 5.24 1 Yes No 7 7 1 2
R:R:F170 R:R:S383 5.28 1 Yes No 7 6 1 1
R:R:C386 R:R:F170 8.38 0 No Yes 7 7 2 1
L:L:?1 R:R:F170 12.09 1 Yes Yes 0 7 0 1
L:L:?1 R:R:S173 6.39 1 Yes No 0 4 0 1
R:R:F174 R:R:H178 14.71 1 Yes Yes 5 4 1 1
L:L:?1 R:R:F174 11.22 1 Yes Yes 0 5 0 1
R:R:F177 R:R:H178 9.05 1 Yes Yes 4 4 1 1
L:L:?1 R:R:F177 6.04 1 Yes Yes 0 4 0 1
L:L:?1 R:R:H178 3.65 1 Yes Yes 0 4 0 1
R:R:F189 R:R:L193 7.31 1 No No 9 4 1 1
R:R:F189 R:R:P269 11.56 1 No No 9 3 1 2
L:L:?1 R:R:F189 3.45 1 Yes No 0 9 0 1
L:L:?1 R:R:L193 6.87 1 Yes No 0 4 0 1
R:R:T197 R:R:W279 4.85 1 No Yes 6 6 1 1
L:L:?1 R:R:T197 5.22 1 Yes No 0 6 0 1
R:R:F200 R:R:W279 4.01 0 Yes Yes 7 6 2 1
R:R:F200 R:R:W356 36.08 0 Yes Yes 7 8 2 1
R:R:T201 R:R:W279 4.85 0 No Yes 6 6 2 1
R:R:F268 R:R:S265 3.96 1 Yes No 5 4 1 2
R:R:F268 R:R:I267 17.58 1 Yes No 5 4 1 2
R:R:F379 R:R:I267 11.3 1 Yes No 4 4 1 2
R:R:F268 R:R:M363 6.22 1 Yes No 5 6 1 1
R:R:F268 R:R:F379 4.29 1 Yes Yes 5 4 1 1
L:L:?1 R:R:F268 21.58 1 Yes Yes 0 5 0 1
R:R:L360 R:R:W279 3.42 0 No Yes 7 6 2 1
L:L:?1 R:R:W279 10.49 1 Yes Yes 0 6 0 1
R:R:C386 R:R:W356 6.53 0 No Yes 7 8 2 1
R:R:N389 R:R:W356 3.39 7 Yes Yes 9 8 2 1
L:L:?1 R:R:W356 8.07 1 Yes Yes 0 8 0 1
R:R:F379 R:R:L359 4.87 1 Yes No 4 7 1 2
R:R:F379 R:R:I362 5.02 1 Yes No 4 4 1 2
L:L:?1 R:R:M363 4.01 1 Yes No 0 6 0 1
L:L:?1 R:R:F379 8.63 1 Yes Yes 0 4 0 1
L:L:?1 R:R:S383 9.58 1 Yes No 0 6 0 1
R:R:G194 R:R:T197 1.82 0 No No 6 6 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.38
Average Nodes In Shell31.00
Average Hubs In Shell12.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell39.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7FEE A Lipid Cannabinoid CB1 Homo sapiens PubMed 104895 ZCZ011 - 2.7 2022-06-15 10.1038/s41589-022-01038-y

A 2D representation of the interactions of 9GF in 7FEE
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:F108 R:R:I105 3.77 1 No Yes 5 3 2 2
R:R:F177 R:R:I105 5.02 1 Yes Yes 4 3 1 2
R:R:I105 R:R:P269 6.77 1 Yes Yes 3 3 2 1
R:R:F108 R:R:P269 20.23 1 No Yes 5 3 2 1
R:R:F177 R:R:M109 7.46 1 Yes No 4 3 1 2
R:R:F174 R:R:I119 3.77 1 Yes Yes 5 5 1 2
R:R:F170 R:R:F174 17.15 1 Yes Yes 7 5 1 1
R:R:C386 R:R:F170 8.38 1 No Yes 7 7 2 1
R:R:F170 R:R:L387 7.31 1 Yes Yes 7 7 1 2
L:L:?1 R:R:F170 10.36 1 Yes Yes 0 7 0 1
R:R:K192 R:R:S173 3.06 6 Yes No 6 4 2 1
L:L:?1 R:R:S173 6.39 1 Yes No 0 4 0 1
R:R:F174 R:R:H178 10.18 1 Yes No 5 4 1 2
R:R:F174 R:R:S383 3.96 1 Yes No 5 6 1 1
L:L:?1 R:R:F174 11.22 1 Yes Yes 0 5 0 1
R:R:F177 R:R:H178 6.79 1 Yes No 4 4 1 2
R:R:F177 R:R:F189 3.22 1 Yes Yes 4 9 1 1
L:L:?1 R:R:F177 12.09 1 Yes Yes 0 4 0 1
R:R:F189 R:R:P269 13 1 Yes Yes 9 3 1 1
R:R:F189 R:R:H270 9.05 1 Yes Yes 9 3 1 2
L:L:?1 R:R:F189 3.45 1 Yes Yes 0 9 0 1
L:L:?1 R:R:L193 7.85 1 Yes No 0 4 0 1
R:R:G194 R:R:T197 5.46 0 No No 6 6 2 1
R:R:A248 R:R:T197 3.36 0 No No 7 6 2 1
L:L:?1 R:R:T197 5.22 1 Yes No 0 6 0 1
R:R:F200 R:R:W279 4.01 0 No Yes 7 6 2 1
R:R:F200 R:R:W356 39.09 0 No Yes 7 8 2 1
R:R:T201 R:R:W279 4.85 0 No Yes 6 6 2 1
R:R:F268 R:R:S265 5.28 1 Yes No 5 4 1 2
R:R:I271 R:R:S265 3.1 1 Yes No 3 4 2 2
R:R:F268 R:R:I267 12.56 1 Yes Yes 5 4 1 2
R:R:F379 R:R:I267 10.05 1 Yes Yes 4 4 1 2
R:R:F268 R:R:I271 3.77 1 Yes Yes 5 3 1 2
R:R:F268 R:R:M363 6.22 1 Yes No 5 6 1 1
R:R:F268 R:R:F379 4.29 1 Yes Yes 5 4 1 1
L:L:?1 R:R:F268 18.13 1 Yes Yes 0 5 0 1
R:R:H270 R:R:P269 7.63 1 Yes Yes 3 3 2 1
L:L:?1 R:R:P269 4.66 1 Yes Yes 0 3 0 1
R:R:V283 R:R:W279 3.68 0 No Yes 8 6 2 1
L:L:?1 R:R:W279 7.27 1 Yes Yes 0 6 0 1
R:R:L359 R:R:W356 3.42 0 No Yes 7 8 2 1
R:R:L360 R:R:W356 3.42 0 No Yes 7 8 2 1
R:R:C386 R:R:W356 3.92 1 No Yes 7 8 2 1
L:L:?1 R:R:W356 5.65 1 Yes Yes 0 8 0 1
R:R:F379 R:R:L359 3.65 1 Yes No 4 7 1 2
R:R:F379 R:R:I362 13.82 1 Yes No 4 4 1 2
R:R:F379 R:R:M363 3.73 1 Yes No 4 6 1 1
L:L:?1 R:R:M363 5.01 1 Yes No 0 6 0 1
R:R:F379 R:R:S383 5.28 1 Yes No 4 6 1 1
L:L:?1 R:R:F379 9.5 1 Yes Yes 0 4 0 1
L:L:?1 R:R:S383 7.45 1 Yes No 0 6 0 1
R:R:C386 R:R:L387 3.17 1 No Yes 7 7 2 2
R:R:I247 R:R:W279 2.35 0 No Yes 5 6 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub9.00
Average Interaction Strength8.16
Average Nodes In Shell36.00
Average Hubs In Shell17.00
Average Links In Shell53.00
Average Links Mediated by Hubs In Shell51.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7V3Z A Lipid Cannabinoid CB1 Homo sapiens PubMed 104895 - - 3.29 2021-11-24 10.1021/jacs.1c06847

A 2D representation of the interactions of 9GF in 7V3Z
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:F177 R:R:M109 11.2 0 No No 4 3 1 2
R:R:F174 R:R:I119 3.77 1 Yes No 5 5 1 2
R:R:F170 R:R:F174 10.72 1 Yes Yes 7 5 1 1
R:R:F170 R:R:V196 7.87 1 Yes No 7 7 1 1
R:R:F170 R:R:F200 5.36 1 Yes No 7 7 1 2
R:R:F170 R:R:S383 3.96 1 Yes No 7 6 1 1
L:L:?1 R:R:F170 16.4 1 Yes Yes 0 7 0 1
R:R:K192 R:R:S173 4.59 7 No No 6 4 2 1
L:L:?1 R:R:S173 6.39 1 Yes No 0 4 0 1
R:R:F174 R:R:H178 7.92 1 Yes No 5 4 1 2
R:R:F174 R:R:S383 5.28 1 Yes No 5 6 1 1
L:L:?1 R:R:F174 6.91 1 Yes Yes 0 5 0 1
R:R:F177 R:R:H178 10.18 0 No No 4 4 1 2
L:L:?1 R:R:F177 7.77 1 Yes No 0 4 0 1
L:L:?1 R:R:L193 5.89 1 Yes No 0 4 0 1
L:L:?1 R:R:V196 8.45 1 Yes No 0 7 0 1
R:R:T197 R:R:W279 7.28 1 No Yes 6 6 1 1
L:L:?1 R:R:T197 5.22 1 Yes No 0 6 0 1
R:R:T201 R:R:W279 6.06 0 No Yes 6 6 2 1
R:R:F268 R:R:S265 5.28 1 Yes No 5 4 1 2
R:R:F268 R:R:I267 8.79 1 Yes No 5 4 1 2
R:R:F268 R:R:I271 3.77 1 Yes No 5 3 1 2
R:R:F268 R:R:L276 3.65 1 Yes Yes 5 5 1 2
R:R:F268 R:R:M363 4.98 1 Yes Yes 5 6 1 2
R:R:F268 R:R:F379 5.36 1 Yes Yes 5 4 1 1
L:L:?1 R:R:F268 17.27 1 Yes Yes 0 5 0 1
R:R:V283 R:R:W279 11.03 0 No Yes 8 6 2 1
L:L:?1 R:R:W279 16.15 1 Yes Yes 0 6 0 1
R:R:F379 R:R:L359 4.87 1 Yes No 4 7 1 2
R:R:F379 R:R:I362 13.82 1 Yes No 4 4 1 2
R:R:F379 R:R:M363 6.22 1 Yes Yes 4 6 1 2
L:L:?1 R:R:F379 4.32 1 Yes Yes 0 4 0 1
L:L:?1 R:R:S383 5.32 1 Yes No 0 6 0 1
R:R:A248 R:R:T197 3.36 0 No No 7 6 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength9.10
Average Nodes In Shell27.00
Average Hubs In Shell8.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell30.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7WV9 A Lipid Cannabinoid CB1 Homo sapiens PubMed 104895 ZCZ011 Gi2/Beta1/Gamma2 3.36 2022-06-15 10.1038/s41589-022-01038-y

A 2D representation of the interactions of 9GF in 7WV9
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:F108 R:R:P269 4.33 0 No No 5 3 2 1
R:R:I119 R:R:S123 1.55 6 No Yes 5 7 2 2
R:R:F174 R:R:I119 2.51 6 Yes No 5 5 1 2
R:R:F174 R:R:S123 2.64 6 Yes Yes 5 7 1 2
R:R:F170 R:R:V196 10.49 6 No No 7 7 1 1
R:R:F170 R:R:S383 2.64 6 No No 7 6 1 2
L:L:?1 R:R:F170 12.09 6 Yes No 0 7 0 1
R:R:K192 R:R:S173 3.06 0 No No 6 4 2 1
L:L:?1 R:R:S173 5.32 6 Yes No 0 4 0 1
R:R:F174 R:R:H178 13.58 6 Yes No 5 4 1 2
L:L:?1 R:R:F174 4.32 6 Yes Yes 0 5 0 1
R:R:F177 R:R:H178 5.66 0 No No 4 4 1 2
R:R:F177 R:R:F189 5.36 0 No No 4 9 1 2
L:L:?1 R:R:F177 10.36 6 Yes No 0 4 0 1
R:R:F189 R:R:L193 2.44 0 No No 9 4 2 1
R:R:F189 R:R:P269 10.11 0 No No 9 3 2 1
L:L:?1 R:R:L193 3.92 6 Yes No 0 4 0 1
R:R:F200 R:R:V196 5.24 6 Yes No 7 7 1 1
L:L:?1 R:R:V196 3.17 6 Yes No 0 7 0 1
R:R:T197 R:R:T201 1.57 6 No No 6 6 1 2
R:R:T197 R:R:W279 3.64 6 No Yes 6 6 1 1
L:L:?1 R:R:T197 3.13 6 Yes No 0 6 0 1
R:R:F200 R:R:W279 2 6 Yes Yes 7 6 1 1
R:R:F200 R:R:W356 2 6 Yes Yes 7 8 1 2
R:R:C386 R:R:F200 5.59 6 Yes Yes 7 7 1 1
L:L:?1 R:R:F200 6.04 6 Yes Yes 0 7 0 1
R:R:T201 R:R:W279 4.85 6 No Yes 6 6 2 1
R:R:F268 R:R:S265 5.28 6 Yes No 5 4 1 2
R:R:I271 R:R:S265 7.74 6 Yes No 3 4 2 2
R:R:L276 R:R:S265 1.5 6 Yes No 5 4 2 2
R:R:F268 R:R:I267 6.28 6 Yes No 5 4 1 2
R:R:D366 R:R:I267 15.39 6 Yes No 4 4 2 2
R:R:F268 R:R:I271 2.51 6 Yes Yes 5 3 1 2
R:R:F268 R:R:L276 4.87 6 Yes Yes 5 5 1 2
R:R:F268 R:R:M363 6.22 6 Yes No 5 6 1 1
R:R:D366 R:R:F268 2.39 6 Yes Yes 4 5 2 1
R:R:F268 R:R:F379 2.14 6 Yes No 5 4 1 1
L:L:?1 R:R:F268 10.36 6 Yes Yes 0 5 0 1
L:L:?1 R:R:P269 3.49 6 Yes No 0 3 0 1
R:R:I271 R:R:L276 2.85 6 Yes Yes 3 5 2 2
R:R:D366 R:R:L276 2.71 6 Yes Yes 4 5 2 2
R:R:I280 R:R:W279 2.35 6 Yes Yes 5 6 2 1
R:R:T283 R:R:W279 9.7 6 No Yes 8 6 2 1
R:R:W279 R:R:W356 1.87 6 Yes Yes 6 8 1 2
L:L:?1 R:R:W279 3.23 6 Yes Yes 0 6 0 1
R:R:I280 R:R:T283 1.52 6 Yes No 5 8 2 2
R:R:I280 R:R:M363 4.37 6 Yes No 5 6 2 1
R:R:L359 R:R:W356 4.56 6 Yes Yes 7 8 2 2
R:R:C386 R:R:W356 3.92 6 Yes Yes 7 8 1 2
R:R:F379 R:R:L359 2.44 6 No Yes 4 7 1 2
R:R:C386 R:R:L359 3.17 6 Yes Yes 7 7 1 2
L:L:?1 R:R:M363 2 6 Yes No 0 6 0 1
L:L:?1 R:R:F379 19.86 6 Yes No 0 4 0 1
L:L:?1 R:R:C386 2.25 6 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub5.00
Average Interaction Strength6.40
Average Nodes In Shell32.00
Average Hubs In Shell13.00
Average Links In Shell54.00
Average Links Mediated by Hubs In Shell45.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8GUR A Lipid Cannabinoid CB2 Homo sapiens PubChem 104895 - Gi1/Beta1/Gamma2 2.84 2023-05-10 10.1038/s41467-023-37112-9

A 2D representation of the interactions of 9GF in 8GUR
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:P184 R:R:Y25 18.08 0 No No 5 4 1 2
R:R:F94 R:R:M26 6.22 0 Yes Yes 3 6 1 2
R:R:V113 R:R:V86 4.81 2 No No 5 4 1 2
R:R:F87 R:R:V113 7.87 2 Yes No 6 5 1 1
R:R:F117 R:R:F87 5.36 2 Yes Yes 6 6 1 1
R:R:F87 R:R:L289 4.87 2 Yes Yes 6 6 1 2
L:L:?1 R:R:F87 15.54 2 Yes Yes 0 6 0 1
R:R:F106 R:R:F94 12.86 0 Yes Yes 9 3 2 1
L:L:?1 R:R:F94 3.45 2 Yes Yes 0 3 0 1
R:R:F106 R:R:I110 8.79 0 Yes No 9 4 2 1
R:R:F106 R:R:P184 7.22 0 Yes No 9 5 2 1
L:L:?1 R:R:I110 8.09 2 Yes No 0 4 0 1
L:L:?1 R:R:V113 3.17 2 Yes No 0 5 0 1
R:R:S165 R:R:T114 7.99 0 No No 7 4 2 1
R:R:T114 R:R:W194 6.06 2 No Yes 4 5 1 1
L:L:?1 R:R:T114 10.45 2 Yes No 0 4 0 1
R:R:F117 R:R:W258 9.02 2 Yes Yes 6 8 1 2
R:R:C288 R:R:F117 8.38 2 No Yes 7 6 2 1
L:L:?1 R:R:F117 4.32 2 Yes Yes 0 6 0 1
R:R:T118 R:R:W194 7.28 0 No Yes 6 5 2 1
R:R:F281 R:R:L182 6.09 2 Yes Yes 4 4 1 2
R:R:F183 R:R:I186 3.77 2 Yes No 6 5 1 2
R:R:F183 R:R:M265 7.46 2 Yes Yes 6 6 1 2
R:R:F183 R:R:F281 6.43 2 Yes Yes 6 4 1 1
L:L:?1 R:R:F183 25.9 2 Yes Yes 0 6 0 1
L:L:?1 R:R:P184 8.15 2 Yes No 0 5 0 1
R:R:I186 R:R:Y190 4.84 0 No Yes 5 7 2 2
R:R:W194 R:R:Y190 4.82 2 Yes Yes 5 7 1 2
R:R:I198 R:R:W194 7.05 0 No Yes 7 5 2 1
R:R:M265 R:R:W194 3.49 0 Yes Yes 6 5 2 1
L:L:?1 R:R:W194 5.65 2 Yes Yes 0 5 0 1
R:R:C288 R:R:W258 7.84 2 No Yes 7 8 2 2
R:R:F281 R:R:V261 5.24 2 Yes No 4 6 1 2
R:R:F281 R:R:L264 7.31 2 Yes No 4 4 1 2
R:R:F281 R:R:S285 7.93 2 Yes No 4 5 1 1
L:L:?1 R:R:F281 10.36 2 Yes Yes 0 4 0 1
L:L:?1 R:R:S285 6.39 2 Yes No 0 5 0 1
R:R:C284 R:R:F281 2.79 0 No Yes 4 4 2 1
R:R:F94 R:R:M22 2.49 0 Yes No 3 7 1 2
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.22
Average Nodes In Shell30.00
Average Hubs In Shell14.00
Average Links In Shell39.00
Average Links Mediated by Hubs In Shell36.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links12.80
Average Number Of Links With An Hub6.60
Average Interaction Strength8.25
Average Nodes In Shell31.20
Average Hubs In Shell12.80
Average Links In Shell44.40
Average Links Mediated by Hubs In Shell40.20

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)