CHEBI:67344 - tephrocandidin B

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ChEBI Name tephrocandidin B
ChEBI ID CHEBI:67344
Definition A monomethoxyflavanone that is (2S)-flavanone substituted by a methoxy group at position 5, hydroxy groups at positions 7 and 4ʼ 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
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Formula C21H22O6
Net Charge 0
Average Mass 370.39580
Monoisotopic Mass 370.14164
InChI InChI=1S/C21H22O6/c1-21(2,25)9-8-14-15(23)10-18(26-3)19-16(24)11-17(27-20(14)19)12-4-6-13(22)7-5-12/h4-10,17,22-23,25H,11H2,1-3H3/b9-8-/t17-/m0/s1
InChIKey UQJDHMKAJSKDGS-JJEJIETFSA-N
SMILES COc1cc(O)c(\C=C/C(C)(C)O)c2O[C@@H](CC(=O)c12)c1ccc(O)cc1
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing tephrocandidin B (CHEBI:67344) has functional parent (2S)-flavanone (CHEBI:15606)
tephrocandidin B (CHEBI:67344) has role metabolite (CHEBI:25212)
tephrocandidin B (CHEBI:67344) has role plant metabolite (CHEBI:76924)
tephrocandidin B (CHEBI:67344) is a 4'-hydroxyflavanones (CHEBI:140331)
tephrocandidin B (CHEBI:67344) is a dihydroxyflavanone (CHEBI:38749)
tephrocandidin B (CHEBI:67344) is a monomethoxyflavanone (CHEBI:38738)
tephrocandidin B (CHEBI:67344) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(2S)-7-hydroxy-8-[(1Z)-3-hydroxy-3-methylbut-1-en-1-yl]-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydro-4H-chromen-4-one
Registry Number Type Source
21534248 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21510635 PubMed citation Europe PMC
Last Modified
05 April 2018