General Information of the Compound
Compound ID
CP0400268
Compound Name
(6R)-4,6,9,9-tetramethyl-5,6,7,8-tetrahydroxanthen-3-ol
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Structure
Formula
C17H22O2
Molecular Weight
258.361
Canonical SMILES
C[C@@H]1CCC2=C(C1)Oc1c(C)c(O)ccc1C2(C)C
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InChI
InChI=1S/C17H22O2/c1-10-5-6-12-15(9-10)19-16-11(2)14(18)8-7-13(16)17(12,3)4/h7-8,10,18H,5-6,9H2,1-4H3/t10-/m1/s1
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InChIKey
DCFDBKAHTLOFTA-SNVBAGLBSA-N
Physicochemical Property
logP
4.44472
Rotatable Bonds
0
Heavy Atom Count
19
Polar Areas
29.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 118712421
ChEMBL ID
CHEMBL3329482
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 1000 nM
   TI
   LI
   LO
   TS