CHEBI:70032 - 3'-O-methylorobol

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ChEBI Name 3'-O-methylorobol
ChEBI ID CHEBI:70032
ChEBI ASCII Name 3'-O-methylorobol
Definition A hydroxyisoflavone that is orobol in which the hydroxy group at position 3' has been replaced by a methoxy group. It has been isolated from Crotalaria lachnophora.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H12O6
Net Charge 0
Average Mass 300.26290
Monoisotopic Mass 300.06339
InChI InChI=1S/C16H12O6/c1-21-13-4-8(2-3-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3
InChIKey ZMFBGWWGXBNJAC-UHFFFAOYSA-N
SMILES COc1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O
Metabolite of Species Details
Crotalaria lachnophora (IPNI:488342-1) Found in whole plant (BTO:0001461). Chloroform soluble fraction of CH2Cl2/MeOH (1:1) crude extract of dried and powdered whole plant 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3'-O-methylorobol (CHEBI:70032) has functional parent orobol (CHEBI:69437)
3'-O-methylorobol (CHEBI:70032) has role plant metabolite (CHEBI:76924)
3'-O-methylorobol (CHEBI:70032) is a hydroxyisoflavone (CHEBI:38755)
3'-O-methylorobol (CHEBI:70032) is a methoxyisoflavone (CHEBI:38756)
IUPAC Name
5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
Synonym Source
5,7,4'-trihydroxy-3'-methoxyisoflavone ChEBI
Registry Number Type Source
4264882 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21265557 PubMed citation Europe PMC
Last Modified
25 June 2015