CHEBI:65360 - abyssinone D

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ChEBI Name abyssinone D
ChEBI ID CHEBI:65360
Definition A chalcone having hydroxy substituents at positions 4, 2' and 4', a methoxy substituent at position 3 and a 3-methylbut-2-en-1-yl group at position 5. It is isolated from the stems of Erythrina abyssinica and displays moderate cytotoxic effect against human colorectal cancer cell line.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H22O5
Net Charge 0
Average Mass 354.39640
Monoisotopic Mass 354.14672
InChI InChI=1S/C21H22O5/c1-13(2)4-6-15-10-14(11-20(26-3)21(15)25)5-9-18(23)17-8-7-16(22)12-19(17)24/h4-5,7-12,22,24-25H,6H2,1-3H3/b9-5+
InChIKey XHBJLRFVAGPAOY-WEVVVXLNSA-N
SMILES COc1cc(\C=C\C(=O)c2ccc(O)cc2O)cc(CC=C(C)C)c1O
Metabolite of Species Details
Erythrina abyssinica (NCBI:txid1237573) Found in stem (BTO:0001300). Previous component: stem bark; 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 abyssinone D (CHEBI:65360) has role antineoplastic agent (CHEBI:35610)
abyssinone D (CHEBI:65360) has role metabolite (CHEBI:25212)
abyssinone D (CHEBI:65360) is a aromatic ether (CHEBI:35618)
abyssinone D (CHEBI:65360) is a chalcones (CHEBI:23086)
abyssinone D (CHEBI:65360) is a resorcinols (CHEBI:33572)
IUPAC Name
(2E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
Registry Number Type Source
18567988 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18484536 PubMed citation Europe PMC
Last Modified
26 October 2012