U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H20O5
Molecular Weight 316.3484
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Combretastatin A4, trans-

SMILES

COC1=CC=C(\C=C\C2=CC(OC)=C(OC)C(OC)=C2)C=C1O

InChI

InChIKey=HVXBOLULGPECHP-AATRIKPKSA-N
InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5+

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-609397
Preferred Name English
Combretastatin A4, trans-
Common Name English
2-Methoxy-5-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
Systematic Name English
Phenol, 2-methoxy-5-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50275721
Created by admin on Wed Apr 02 15:20:16 GMT 2025 , Edited by admin on Wed Apr 02 15:20:16 GMT 2025
PRIMARY
CAS
117048-62-1
Created by admin on Wed Apr 02 15:20:16 GMT 2025 , Edited by admin on Wed Apr 02 15:20:16 GMT 2025
PRIMARY
FDA UNII
ND4BUQ9WHL
Created by admin on Wed Apr 02 15:20:16 GMT 2025 , Edited by admin on Wed Apr 02 15:20:16 GMT 2025
PRIMARY
NSC
609397
Created by admin on Wed Apr 02 15:20:16 GMT 2025 , Edited by admin on Wed Apr 02 15:20:16 GMT 2025
PRIMARY
PUBCHEM
5386397
Created by admin on Wed Apr 02 15:20:16 GMT 2025 , Edited by admin on Wed Apr 02 15:20:16 GMT 2025
PRIMARY