CHEBI:3327 - calophyllin B

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ChEBI Name calophyllin B
ChEBI ID CHEBI:3327
Definition A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 5 and a prenyl group at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H16O4
Net Charge 0
Average Mass 296.31720
Monoisotopic Mass 296.10486
InChI InChI=1S/C18H16O4/c1-10(2)6-7-11-8-9-12-17(21)15-13(19)4-3-5-14(15)22-18(12)16(11)20/h3-6,8-9,19-20H,7H2,1-2H3
InChIKey APHJPNXEBUUMKB-UHFFFAOYSA-N
SMILES CC(C)=CCc1ccc2c(oc3cccc(O)c3c2=O)c1O
Metabolite of Species Details
Calophyllum inophyllum (NCBI:txid158927) 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.
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ChEBI Ontology
Outgoing calophyllin B (CHEBI:3327) has role plant metabolite (CHEBI:76924)
calophyllin B (CHEBI:3327) is a polyphenol (CHEBI:26195)
calophyllin B (CHEBI:3327) is a xanthones (CHEBI:51149)
IUPAC Name
1,5-dihydroxy-6-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Synonyms Sources
6-(3,3-Dimethylallyl)-1,5-dihydroxyxanthone KEGG COMPOUND
guanandin ChEBI
Manual Xrefs Databases
C00002944 KNApSAcK
C10054 KEGG COMPOUND
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Registry Numbers Types Sources
1292035 Reaxys Registry Number Reaxys
17623-60-8 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
15678383 PubMed citation Europe PMC
Last Modified
03 October 2014