EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:65359 - abyssinone C

ChEBI IDCHEBI:65359
ChEBI Nameabyssinone C
Stars
DefinitionA chromenol that is 2,2-dimethyl-3,4-dihydro-2H-chromene-3,4,8-triol substituted by a 3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl moiety at position 6 (the E-isomer). It is isolated from the stems of Erythrina abyssinica and displays moderate cytotoxic effect against human colorectal cancer cell line.
Last Modified29 October 2012
DownloadsMolfile
FormulaC20H20O7
Net Charge0
Average Mass372.373
Monoisotopic Mass372.12090
SMILESCC1(C)Oc2c(O)cc(/C=C/C(=O)c3ccc(O)cc3O)cc2C(O)C1O
InChIInChI=1S/C20H20O7/c1-20(2)19(26)17(25)13-7-10(8-16(24)18(13)27-20)3-6-14(22)12-5-4-11(21)9-15(12)23/h3-9,17,19,21,23-26H,1-2H3/b6-3+
InChIKeyVRYBZCIONJZZPL-ZZXKWVIFSA-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 C (CHEBI:65359) has role antineoplastic agent (CHEBI:35610)
abyssinone C (CHEBI:65359) has role metabolite (CHEBI:25212)
abyssinone C (CHEBI:65359) is a chalcones (CHEBI:23086)
abyssinone C (CHEBI:65359) is a chromenol (CHEBI:39436)
abyssinone C (CHEBI:65359) is a resorcinols (CHEBI:33572)
IUPAC Name 
(2E)-1-(2,4-dihydroxyphenyl)-3-(3,4,8-trihydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)prop-2-en-1-one
Registry NumbersSources
Reaxys:18567990Reaxys
Citations