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CHEBI:65360 - abyssinone D

ChEBI IDCHEBI:65360
ChEBI Nameabyssinone D
Stars
DefinitionA 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.
Last Modified26 October 2012
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILESCOc1cc(/C=C/C(=O)c2ccc(O)cc2O)cc(CC=C(C)C)c1O
InChIInChI=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+
InChIKeyXHBJLRFVAGPAOY-WEVVVXLNSA-N
Species of MetaboliteComponentSourceComments
Erythrina abyssinica (ncbitaxon:1237573) stem (BTO:0001300) PubMed (18484536) Previous component: stem bark;
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:18567988Reaxys
Citations