General Information of the Compound
Compound ID
CP0109180
Compound Name
2-(6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol
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Synonyms
(-)-CBD
(-)-Cannabidiol
(-)-trans-2-p-Mentha-1,8-dien-3-yl-5-pentylresorcinol
(-)-trans-Cannabidiol
13956-29-1
19GBJ60SN5
CBD
Cannabidiol
Epidiolex
GWP42003-P
QHMBSVQNZZTUGM-ZWKOTPCHSA-N
UNII-19GBJ60SN5
cannabidiol
delta1(2)-trans-Cannabidiol
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Structure
Formula
C21H30O2
Molecular Weight
314.469
Canonical SMILES
CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1
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InChI
InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
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InChIKey
QHMBSVQNZZTUGM-ZWKOTPCHSA-N
CAS
13956-29-1
Physicochemical Property
logP
5.8465
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
40.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
23

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 644019
SID: 12012585
ChEMBL ID
CHEMBL190461
DrugBank ID
DB09061
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00834, Cannabinoid receptor 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  11
1
EC50 = 7.943 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 12.59 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
EC50 = 15.85 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
4
EC50 = 25.12 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
5
EC50 = 31.62 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
6
EC50 = 39.81 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
7
EC50 = 50.12 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
8
EC50 = 251.19 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
9
EC50 = 398.11 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
10
EC50 = 501.19 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
11
EC50 = 630.96 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.539076 nM
2 Ki = 2860 nM
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 > 25000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cannabidiol )
Drug Name Cannabidiol
Company GW Pharmaceuticals
Indication
LennoxGastaut syndrome
Approved
Dravet syndrome
Approved
Infantile spasm
Phase 3
Epilepsy
Phase 2