(6Ar,10aR)-9-(acetyloxymethyl)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL3586110
PubChem:	122180088
IUPAC:	(6aR,10aR)-9-(acetyloxymethyl)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid
Standard InChI:	InChI=1S/C24H32O6/c1-5-6-7-8-16-12-19-21(22(26)20(16)23(27)28)17-11-15(13-29-14(2)25)9-10-18(17)24(3,4)30-19/h11-12,17-18,26H,5-10,13H2,1-4H3,(H,27,28)/t17-,18-/m1/s1
Standard InChI Key:	VVGKJYWKBQPUEW-QZTJIDSGSA-N
SMILES:	CCCCCc1cc2OC(C)(C)[C@H]3[C@H](c2c(c1C(=O)O)O)C=C(CC3)COC(=O)C

Molecular propeties
AlogP:	4.98
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	2
Rotatable bonds:	7
Number of rings:	3
Molecular Weight:	416.22
Topological polar surface area:	93.1
Number of aromatic rings:	1
Fsp3:	0.583
Number of carbons:	24

Plant sources

Part of plant	Plant name	Ref.
Plant	Cannabis sativa

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Ki	912 nM	Cannabinoid CB2 receptor	P34972
Ki	47 nM	Cannabinoid CB1 receptor	P21554