CHEBI:68024 - macaranone B

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ChEBI Name macaranone B
ChEBI ID CHEBI:68024
Definition A tetrahydroxyflavone that is flavonol substituted by additional hydroxy groups at positions 5, 7 and 3', a methoxy group at position 4' and a geranyl group at position 2'. It has been isolated from the twigs of Morus nigra.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H28O7
Net Charge 0
Average Mass 452.49630
Monoisotopic Mass 452.18350
InChI InChI=1S/C26H28O7/c1-14(2)6-5-7-15(3)8-9-17-18(10-11-20(32-4)23(17)29)26-25(31)24(30)22-19(28)12-16(27)13-21(22)33-26/h6,8,10-13,27-29,31H,5,7,9H2,1-4H3/b15-8+
InChIKey FQNPIKMQXFBSPC-OVCLIPMQSA-N
SMILES COc1ccc(c(C\C=C(/C)CCC=C(C)C)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
Metabolite of Species Details
Morus nigra (NCBI:txid85232) Found in twig (BTO:0001411). Milled, air-dried twigs were percolated with 95% ethanol 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 macaranone B (CHEBI:68024) has functional parent flavonol (CHEBI:5078)
macaranone B (CHEBI:68024) has role plant metabolite (CHEBI:76924)
macaranone B (CHEBI:68024) is a flavonols (CHEBI:28802)
macaranone B (CHEBI:68024) is a monomethoxyflavone (CHEBI:25401)
macaranone B (CHEBI:68024) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name
2-{2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-hydroxy-4-methoxyphenyl}-3,5,7-trihydroxy-4H-chromen-4-one
Registry Number Type Source
19726970 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21401118 PubMed citation Europe PMC
Last Modified
01 October 2014