tephrocandidin A (CHEBI:67343)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	tephrocandidin A

ChEBI ID	CHEBI:67343

Definition	A monomethoxyflavanone that is (2S)-flavanone substituted by a methoxy group at position 5, a hydroxy group at position 7 and a 3-hydroxy-3-methylbut-1-en-1-yl group at position 8. It has been isolated from the aerial parts of Tephrosia candida.

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

Supplier Information

Download	Molfile XML SDF

Formula

C21H22O5

Net Charge

Average Mass

354.39640

Monoisotopic Mass

354.14672

InChI

InChI=1S/C21H22O5/c1-21(2,24)10-9-14-15(22)11-18(25-3)19-16(23)12-17(26-20(14)19)13-7-5-4-6-8-13/h4-11,17,22,24H,12H2,1-3H3/b10-9-/t17-/m0/s1

InChIKey

YSYPNKZOQYHUSV-IBSYWUHOSA-N

SMILES

COc1cc(O)c(\C=C/C(C)(C)O)c2O[C@@H](CC(=O)c12)c1ccccc1

Metabolite of Species	Details
Tephrosia candida (IPNI:520444-1)	Found in aerial part (BTO:0001658). CH2Cl2-MeOH (1:1) extract of crushed, air-dried aerial parts See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	tephrocandidin A (CHEBI:67343) has functional parent (2S)-flavanone (CHEBI:15606) tephrocandidin A (CHEBI:67343) has role metabolite (CHEBI:25212) tephrocandidin A (CHEBI:67343) has role plant metabolite (CHEBI:76924) tephrocandidin A (CHEBI:67343) is a monohydroxyflavanone (CHEBI:38748) tephrocandidin A (CHEBI:67343) is a monomethoxyflavanone (CHEBI:38738) tephrocandidin A (CHEBI:67343) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

(2S)-7-hydroxy-8-[(1Z)-3-hydroxy-3-methylbut-1-en-1-yl]-5-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one

Registry Number	Type	Source
21534247	Reaxys Registry Number	Reaxys

Citation	Type	Source
21510635	PubMed citation	Europe PMC

Last Modified

04 December 2013