CHEBI:52127 - (−)-glyceollin II

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ChEBI Name (−)-glyceollin II ChEBI ID CHEBI:52127 ChEBI ASCII Name (-)-glyceollin II Definition A benzofuropyranochromene that is 3H,7H-[1]benzofuro[3,2-c]pyrano[3,2-g]chromene substituted at positions 7a and 10 by hydroxy groups and at position 3 by a gem-dimethyl group. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Secondary ChEBI IDs CHEBI:52085, CHEBI:91 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H18O5 Net Charge 0 Average Mass 338.35390 Monoisotopic Mass 338.11542 InChI InChI=1S/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1 InChIKey DDJVLBCETGUEBO-AZUAARDMSA-N SMILES [H][C@@]12Oc3cc(O)ccc3[C@]1(O)COc1cc3OC(C)(C)C=Cc3cc21 Roles Classification Biological Role(s): phytoalexin A toxin made by a plant that acts against an organism attacking it. View more via ChEBI Ontology ChEBI Ontology Outgoing (−)-glyceollin II (CHEBI:52127) has role phytoalexin (CHEBI:26115) (−)-glyceollin II (CHEBI:52127) is a benzofuropyranochromene (CHEBI:52130) IUPAC Name (7S,12aS)-3,3-dimethyl-3H,7H-[1]benzofuro[3,2-c]pyrano[3,2-g]chromene-7a,10(12aH)-diol Synonyms Sources (-)-Glyceollin II KEGG COMPOUND glyceollin II UniProt glyceollin II ChEBI Manual Xrefs Databases C00002531 KNApSAcK C10422 KEGG COMPOUND US2011144195 Patent WO2009111428 Patent WO2012006750 Patent View more database links Registry Numbers Types Sources 1664105 Reaxys Registry Number Reaxys 1664105 Beilstein Registry Number Beilstein 67314-98-1 CAS Registry Number SUBMITTER 67314-98-1 CAS Registry Number ChemIDplus Citation Type Source GUA85013620 Agricola citation Europe PMC Last Modified 18 October 2017