General Information of the Compound
Compound ID
CP0565978
Compound Name
3-(1-adamantyl)-6,6-dimethylbenzo[c]chromene-1,9-diol
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Structure
Formula
C25H28O3
Molecular Weight
376.496
Canonical SMILES
CC1(C)Oc2cc(cc(O)c2-c2cc(O)ccc12)C12CC3CC(CC(C3)C1)C2
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InChI
InChI=1S/C25H28O3/c1-24(2)20-4-3-18(26)10-19(20)23-21(27)8-17(9-22(23)28-24)25-11-14-5-15(12-25)7-16(6-14)13-25/h3-4,8-10,14-16,26-27H,5-7,11-13H2,1-2H3
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InChIKey
JYAKTQPPSDGUBD-UHFFFAOYSA-N
Physicochemical Property
logP
5.8601
Rotatable Bonds
1
Heavy Atom Count
28
Polar Areas
49.69
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 71662416
ChEMBL ID
CHEMBL2348476
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 = 551 nM
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