EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:6714 - (+)-medicarpin

ChEBI IDCHEBI:6714
ChEBI Name(+)-medicarpin
Stars
DefinitionThe (+)-enantiomer of medicarpin.
Last Modified9 January 2019
DownloadsMolfile
FormulaC16H14O4
Net Charge0
Average Mass270.284
Monoisotopic Mass270.08921
SMILES[H][C@]12COc3cc(O)ccc3[C@@]1([H])Oc1cc(OC)ccc12
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/t13-,16-/m1/s1
InChIKeyNSRJSISNDPOJOP-CZUORRHYSA-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:6714) is a medicarpin (CHEBI:16114)
(+)-medicarpin (CHEBI:6714) is enantiomer of (−)-medicarpin (CHEBI:100)
Incoming Relation(s)
(−)-medicarpin (CHEBI:100) is enantiomer of (+)-medicarpin (CHEBI:6714)
IUPAC Name 
(6aS,11aS)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Synonyms  Source
MedicarpinKEGG COMPOUND
3-Hydroxy-9-methoxypterocarpanKEGG COMPOUND
UniProt Name  Source
(+)-medicarpinUniProt
Manual XrefsDatabases
C01729KEGG COMPOUND
C00018987KNApSAcK
Registry NumbersSources
Beilstein:5288261Beilstein
CAS:33983-40-3KEGG COMPOUND