Dronabinol

Representations & DB's id
ChEBI:	CHEBI:66964
ChEMBL:	CHEMBL465
PubChem:	16078
IUPAC:	(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
Standard InChI:	InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
Standard InChI Key:	CYQFCXCEBYINGO-IAGOWNOFSA-N
SMILES:	CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C

Molecular propeties
AlogP:	5.74
Hydrogen bonds acceptors:	2
Hydrogen bonds donors:	1
Rotatable bonds:	4
Number of rings:	3
Molecular Weight:	314.22
Topological polar surface area:	29.5
Number of aromatic rings:	1
Fsp3:	0.619
Number of carbons:	21

Plant sources

Part of plant	Plant name	Ref.
Plant	Cannabis sativa
Plant	Cannabis sativa
Plant	Cannabis sativa
Plant	Cannabis sativa
Plant	Cannabis sativa

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Ki	36 nM	Cannabinoid CB2 receptor	P34972
Ki	3.3 nM	Cannabinoid CB2 receptor	P34972
Ki	17 nM	Cannabinoid CB1 receptor	P21554
Ki	36 nM	Cannabinoid CB2 receptor	P34972
Ki	41 nM	Cannabinoid CB2 receptor	P34972
Ki	2.9 nM	Cannabinoid CB1 receptor	P21554
EC50	1.5 nM	Cannabinoid CB2 receptor	P34972
Ki	36 nM	Cannabinoid CB2 receptor	P34972
Ki	36 nM	Cannabinoid CB2 receptor	P34972
IC50	2.8 nM	Cannabinoid CB1 receptor	P21554
IC50	9.5 nM	Cannabinoid CB2 receptor	P34972
Ki	10 nM	Cannabinoid CB1 receptor	P21554
EC50	17 nM	Cannabinoid CB1 receptor	P21554
Ki	24 nM	Cannabinoid CB2 receptor	P34972
Ki	36 nM	Cannabinoid CB2 receptor	P34972
Ki	71.6 nM	Cannabinoid CB2 receptor	P34972
Ki	3.88 nM	Cannabinoid CB1 receptor	P21554
EC50	4610 nM	N-arachidonyl glycine receptor	Q14330
IC50	14200 nM	G-protein coupled receptor 55	Q9Y2T6
EC50	4610 nM	N-arachidonyl glycine receptor	Q14330
Ki	71.6 nM	Cannabinoid CB2 receptor	P34972
EC50	960 nM	N-arachidonyl glycine receptor	Q14330
EC50	14200 nM	G-protein coupled receptor 55	Q9Y2T6
Ki	3.88 nM	Cannabinoid CB1 receptor	P21554
Ki	36.4 nM	Cannabinoid CB2 receptor	P34972
Ki	40.7 nM	Cannabinoid CB1 receptor	P21554
Ki	22 nM	Cannabinoid CB1 receptor	P21554
Ki	46 nM	Cannabinoid CB2 receptor	P34972
EC50	12.3 nM	Cannabinoid CB2 receptor	P34972
EC50	77.5 nM	Cannabinoid CB1 receptor	P21554
Others	162 %	Glycine receptor subunit alpha-1	P23415
EC50	1300 nM	Glycine receptor subunit alpha-1	P23415
EC50	31600 nM	Pregnane X receptor	O75469
EC50	12600 nM	Pregnane X receptor	O75469
EC50	12600 nM	Pregnane X receptor	O75469
Ki	42 nM	Cannabinoid CB2 receptor	P34972
Ki	18 nM	Cannabinoid CB1 receptor	P21554

Dronabinol

Representations & DB's id

Molecular propeties

Plant sources

In vitro data