neobavaisoflavone (CHEBI:66614)

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ChEBI Name	neobavaisoflavone

ChEBI ID	CHEBI:66614

Definition	A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone with an additonal hydroxy group at position 4' and a prenyl group at position 3'. Isolated from seeds of Psoralea corylifolia, it exhibits inhibitory activity against DNA polymerase and platelet aggregation.

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

Supplier Information

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Formula

C20H18O4

Net Charge

Average Mass

322.35450

Monoisotopic Mass

322.12051

InChI

InChI=1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3

InChIKey

OBGPEBYHGIUFBN-UHFFFAOYSA-N

SMILES

CC(C)=CCc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O

Metabolite of Species	Details
Psoralea corylifolia (NCBI:txid429560)	Found in seed (BTO:0001226). See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor A DNA polymerase inhibitor that interferes with the action of a DNA-directed DNA polymerase (EC 2.7.7.7).

Application(s):	platelet aggregation inhibitor A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	neobavaisoflavone (CHEBI:66614) has role antineoplastic agent (CHEBI:35610) neobavaisoflavone (CHEBI:66614) has role EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor (CHEBI:131699) neobavaisoflavone (CHEBI:66614) has role plant metabolite (CHEBI:76924) neobavaisoflavone (CHEBI:66614) has role platelet aggregation inhibitor (CHEBI:50427) neobavaisoflavone (CHEBI:66614) is a 7-hydroxyisoflavones (CHEBI:55465)

Incoming	2'-hydroxyneobavaisoflavanone (CHEBI:66048) has functional parent neobavaisoflavone (CHEBI:66614)

IUPAC Name

7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one

Synonyms	Sources
7,4'-dihydroxy-3'-(3-methyl-buten-2-yl)isoflavone	ChEBI
7,4'-dihydroxy-3'-(γ,γ-dimethylallyl)isoflavone	ChEBI
7-hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-1-benzopyran-4-one	ChEBI

Registry Number	Type	Source
4518386	Reaxys Registry Number	Reaxys

Last Modified

07 April 2016