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CHEBI:77939 - oroxylin A(1−)

ChEBI IDCHEBI:77939
ChEBI Nameoroxylin A(1−)
Stars
ASCII Nameoroxylin A(1-)
DefinitionA flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of oroxylin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified10 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC16H11O5
Net Charge-1
Average Mass283.259
Monoisotopic Mass283.06120
SMILESCOc1c([O-])cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3/p-1
InChIKeyLKOJGSWUMISDOF-UHFFFAOYSA-M
Roles Classification
Biological Role:
EC 1.14.13.39 (nitric oxide synthase) inhibitor  An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of nitric oxide synthase (EC 1.14.13.39).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
oroxylin A(1−) (CHEBI:77939) has role antineoplastic agent (CHEBI:35610)
oroxylin A(1−) (CHEBI:77939) has role EC 1.14.13.39 (nitric oxide synthase) inhibitor (CHEBI:61908)
oroxylin A(1−) (CHEBI:77939) is a flavonoid oxoanion (CHEBI:60038)
oroxylin A(1−) (CHEBI:77939) is conjugate base of oroxylin A (CHEBI:61668)
Incoming Relation(s)
oroxylin A (CHEBI:61668) is conjugate acid of oroxylin A(1−) (CHEBI:77939)
IUPAC Name 
5-hydroxy-6-methoxy-4-oxo-2-phenyl-4H-chromen-7-olate
UniProt Name  Source
oroxylin AUniProt