General Information of the Compound
Compound ID
CP0085192
Compound Name
1,3-dimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
    Show/Hide
Synonyms
(Z)-3,4',5-trimethoxystilbene
(Z)-3,5,4'-TRIMETHOXYSTILBENE
(Z)-3,5,40-Trimethoxystilbene
1,3-dimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
1101AH
3,4',5-trimethoxy-(Z)-stilbene
608T238
8Z-3,4',5-trimethoxystilbene
94608-23-8
AC-24237
AKOS025401671
BDBM23940
CHEMBL311636
DB-079973
GDHNBPHYVRHYCC-PLNGDYQASA-N
HMS3648G16
I14-7426
MolPort-009-018-268
SCHEMBL1006207
SR-01000946368
SR-01000946368-1
ZINC9252
cis-Stilbene Derivative, 5a
cis-Trismethoxyresveratrol
cis-trismethoxy Resveratrol
    Show/Hide
Structure
Formula
C17H18O3
Molecular Weight
270.328
Canonical SMILES
COc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
    Show/Hide
InChI
InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4-
    Show/Hide
InChIKey
GDHNBPHYVRHYCC-PLNGDYQASA-N
Physicochemical Property
logP
3.8828
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
27.69
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 9878556
SID: 14844511
ChEMBL ID
CHEMBL311636
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: PT00886, Estrogen receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 132 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3,4',5-trimethoxy-(Z)-stilbene )
Drug Name 3,4',5-trimethoxy-(Z)-stilbene
Target(s)
Tubulin beta-2 chain (TUBB2)
 Target Info 
Inhibitor