CHEBI:66100 - ixerochinolide

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ChEBI Name ixerochinolide
ChEBI ID CHEBI:66100
Definition A sesquiterpene lactone isolated from Ixeris chinensis and has been shown to exhibit cytotoxic activity against human PC-3 tumor cells.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H24O6
Net Charge 0
Average Mass 396.43310
Monoisotopic Mass 396.15729
InChI InChI=1S/C23H24O6/c1-11-8-18(28-19(26)9-14-4-6-15(24)7-5-14)21-13(3)23(27)29-22(21)20-12(2)17(25)10-16(11)20/h4-7,16-18,20-22,24-25H,1-3,8-10H2/t16-,17-,18+,20-,21+,22+/m0/s1
InChIKey BBTINGNPUAXELD-QPOFKBRPSA-N
SMILES [H][C@@]12C[C@H](O)C(=C)[C@]1([H])[C@@]1([H])OC(=O)C(=C)[C@]1([H])[C@@H](CC2=C)OC(=O)Cc1ccc(O)cc1
Metabolite of Species Details
Ixeris chinensis (NCBI:txid318058) Found in whole plant (BTO:0001461). 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 ixerochinolide (CHEBI:66100) has functional parent 4-hydroxyphenylacetic acid (CHEBI:18101)
ixerochinolide (CHEBI:66100) has role antineoplastic agent (CHEBI:35610)
ixerochinolide (CHEBI:66100) has role metabolite (CHEBI:25212)
ixerochinolide (CHEBI:66100) is a carboxylic ester (CHEBI:33308)
ixerochinolide (CHEBI:66100) is a phenols (CHEBI:33853)
ixerochinolide (CHEBI:66100) is a secondary alcohol (CHEBI:35681)
ixerochinolide (CHEBI:66100) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name
(3aR,4R,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxododecahydroazuleno[4,5-b]furan-4-yl (4-hydroxyphenyl)acetate
Synonym Source
8-O-p-hydroxyphenylacetylintegrifolin ChEBI
Registry Number Type Source
10126830 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15635221 PubMed citation Europe PMC
Last Modified
04 March 2013