CHEBI:181391 - Combretastatin A4

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Combretastatin A4
ChEBI ID CHEBI:181391
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H20O5
Net Charge 0
Average Mass 316.353
Monoisotopic Mass 316.13107
InChI 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-
InChIKey HVXBOLULGPECHP-WAYWQWQTSA-N
SMILES O(C1=C(OC)C=C(C=C1OC)/C=C\C2=CC(O)=C(OC)C=C2)C
ChEBI Ontology
Outgoing Combretastatin A4 (CHEBI:181391) is a stilbenoid (CHEBI:26776)
IUPAC Name
2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
Manual Xrefs Databases
4508364 ChemSpider
7BA PDBeChem
C20268 KEGG COMPOUND
DB14680 KEGG DRUG
LSM-45498 LINCS
View more database links
Registry Number Type Source
117048-59-6 CAS Registry Number ChemIDplus