vadimezan (CHEBI:75934)

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ChEBI Name	vadimezan

ChEBI ID	CHEBI:75934

Definition	A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 5,6-dimethyl-9-oxoxanthen-4-yl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Sandra Orchard

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Formula

C17H14O4

Net Charge

Average Mass

282.29070

Monoisotopic Mass

282.08921

InChI

InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)

InChIKey

XGOYIMQSIKSOBS-UHFFFAOYSA-N

SMILES

Cc1ccc2c(oc3c(CC(O)=O)cccc3c2=O)c1C

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	vadimezan (CHEBI:75934) has role antineoplastic agent (CHEBI:35610) vadimezan (CHEBI:75934) is a monocarboxylic acid (CHEBI:25384) vadimezan (CHEBI:75934) is a xanthones (CHEBI:51149)

IUPAC Name

(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid

Synonyms	Sources
(5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid	ChEBI
5,6-Dimethyl-9-oxo-9H-xanthene-4-acetic acid	ChemIDplus
5,6-Dimethylxanthenone-4-acetic acid	ChemIDplus
5,6-Dimethylxanthenoneacetic acid	ChemIDplus
5,6-MeXAA	ChemIDplus
AS 1404	ChemIDplus
AS-1404	ChemIDplus
Dimethyloxoxanthene acetic acid	ChemIDplus
NSC 640488	ChemIDplus

Last Modified

06 November 2013