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CHEBI:16114 - medicarpin

ChEBI IDCHEBI:16114
ChEBI Namemedicarpin
Stars
DefinitionA member of the class of pterocarpans that is 3-hydroxyptercarpan with a methoxy substituent at position 9.
Secondary ChEBI IDsCHEBI:14576, CHEBI:18492, CHEBI:25177, CHEBI:27497
Last Modified10 March 2017
DownloadsMolfile
FormulaC16H14O4
Net Charge0
Average Mass270.284
Monoisotopic Mass270.08921
SMILESCOc1ccc2c(c1)OC1c3ccc(O)cc3OCC21
InChIInChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3
InChIKeyNSRJSISNDPOJOP-UHFFFAOYSA-N
Roles Classification
Biological Role:
phytoalexin  A toxin made by a plant that acts against an organism attacking it.
ChEBI Ontology
Outgoing Relation(s)
medicarpin (CHEBI:16114) has role phytoalexin (CHEBI:26115)
medicarpin (CHEBI:16114) is a pterocarpans (CHEBI:26377)
Incoming Relation(s)
(+)-medicarpin (CHEBI:6714) is a medicarpin (CHEBI:16114)
(−)-medicarpin (CHEBI:100) is a medicarpin (CHEBI:16114)
IUPAC Name 
9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
UniProt Name  Source
medicarpinUniProt
Registry NumbersSources
Beilstein:1322055Beilstein