General Information of the Compound
Compound ID
CP0312435
Compound Name
TRIACETYLRESVERATROL
    Show/Hide
Structure
Formula
C20H18O6
Molecular Weight
354.358
Canonical SMILES
CC(=O)Oc1ccc(\C=C\c2cc(OC(C)=O)cc(OC(C)=O)c2)cc1
    Show/Hide
InChI
InChI=1S/C20H18O6/c1-13(21)24-18-8-6-16(7-9-18)4-5-17-10-19(25-14(2)22)12-20(11-17)26-15(3)23/h4-12H,1-3H3/b5-4+
    Show/Hide
InChIKey
PDAYUJSOJIMKIS-SNAWJCMRSA-N
Physicochemical Property
logP
3.6329
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
78.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 5962587
SID: 14778695
ChEMBL ID
CHEMBL597744
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: PT02148, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 7500 nM
   TI
   LI
   LO
   TS
2
IC50 = 11800 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS