CHEBI:65671 - cratoxyarborenone A

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ChEBI Name cratoxyarborenone A
ChEBI ID CHEBI:65671
Definition A member of the class of xanthones that is 9H-xanthen-9-one substituted by a geranyl group at position 8, hydroxy groups at positions 1, 3, 5 and 7 and an isoprenyl group at position 2. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H32O6
Net Charge 0
Average Mass 464.55010
Monoisotopic Mass 464.21989
InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)10-12-18-20(29)13-22(31)28-24(18)27(33)25-23(34-28)14-21(30)19(26(25)32)11-9-16(3)4/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10+
InChIKey ZAXOSWZCOUYSSE-LICLKQGHSA-N
SMILES CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c12
Metabolite of Species Details
Cratoxylum Sumatranum (IPNI:433074-1) Found in stem (BTO:0001300). Previous component: stem bark; See: PubMed
Cratoxylum Sumatranum (IPNI:433074-1) Found in twig (BTO:0001411). See: PubMed
Cratoxylum Sumatranum (IPNI:433074-1) Found in leaf (BTO:0000713). 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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cratoxyarborenone A (CHEBI:65671) has role antineoplastic agent (CHEBI:35610)
cratoxyarborenone A (CHEBI:65671) has role metabolite (CHEBI:25212)
cratoxyarborenone A (CHEBI:65671) is a polyphenol (CHEBI:26195)
cratoxyarborenone A (CHEBI:65671) is a xanthones (CHEBI:51149)
IUPAC Name
8-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1,3,5,7-tetrahydroxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Synonym Source
1,3,5,7-tetrahydroxy-2-isoprenyl-8-geranylxanthone ChEBI
Registry Number Type Source
9100374 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11908969 PubMed citation Europe PMC
Last Modified
18 December 2012