acompound

Showing entry for 8Beta-Hydroxy-Delta9-Tetrahydrocannabinol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0027820
Compound Name	8Beta-Hydroxy-Delta9-Tetrahydrocannabinol
Structure
Formula	C21H30O3
InchiKey	INKUWBOHCFHXTJ-BRWVUGGUSA-N
SMILES	CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)[C@@H](C1)O)(C)C
Inchi	InChI=1S/C21H30O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h9-11,15-17,22-23H,5-8,12H2,1-4H3/t15-,16-,17-/m1/s1
IUPAC	(6aR,8R,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-1,8-diol
Molecular Weight	330.22
Pubchem Id	169652
Chembl Id	CHEMBL3586105

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT008556	Cannabinoid receptor 1	reviewed		Cnr1	820	-	-	-
reviewed	BXGT009779	Cannabinoid receptor 2	reviewed	G-protein coupled receptor	CNR2	88	-	-	-
reviewed	BXGT008662	Cannabinoid receptor 1	reviewed	G-protein coupled receptor	CNR1	65	-	-	-

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P21554	BXGT008662	Cannabinoid receptor 1	reviewed	G-protein coupled receptor	CNR1	Ki	'='	65	nM
P34972	BXGT009779	Cannabinoid receptor 2	reviewed	G-protein coupled receptor	CNR2	Ki	'='	88	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05853	Cannabis sativa	Cannabis sativa	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}