General Information of the Compound
Compound ID
CP0482101
Compound Name
(6aR,10aR)-3-(1-hydroxy-2-methylpropan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
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Structure
Formula
C20H28O3
Molecular Weight
316.441
Canonical SMILES
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)CO
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InChI
InChI=1S/C20H28O3/c1-12-6-7-15-14(8-12)18-16(22)9-13(19(2,3)11-21)10-17(18)23-20(15,4)5/h6,9-10,14-15,21-22H,7-8,11H2,1-5H3/t14-,15-/m1/s1
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InChIKey
SYZOQGGINYCNDW-HUUCEWRRSA-N
Physicochemical Property
logP
4.273
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
49.69
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 89994956
ChEMBL ID
CHEMBL4064428
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01998, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS