General Information of the Compound
Compound ID
CP0520414
Compound Name
(11R,13S)-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraene-5,13-diol
    Show/Hide
Structure
Formula
C18H24O2
Molecular Weight
272.388
Canonical SMILES
Cc1cc2CC[C@@H]3C(CC[C@H](O)C3(C)C)=Cc2cc1O
    Show/Hide
InChI
InChI=1S/C18H24O2/c1-11-8-12-4-6-15-13(9-14(12)10-16(11)19)5-7-17(20)18(15,2)3/h8-10,15,17,19-20H,4-7H2,1-3H3/t15-,17+/m1/s1
    Show/Hide
InChIKey
LLUGDEYQSVTJSI-WBVHZDCISA-N
Physicochemical Property
logP
3.82732
Rotatable Bonds
0
Heavy Atom Count
20
Polar Areas
40.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 14779675
ChEMBL ID
CHEMBL3930353
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: PT01718, Nitric oxide synthase, inducible
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000214 BV-2 Mus musculus (Mouse)  1
1
IC50 = 3800 nM
   TI
   LI
   LO
   TS