CHEBI:7567 - nigakihemiacetal A

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ChEBI Name nigakihemiacetal A ChEBI ID CHEBI:7567 Definition A quassinoid that is picras-2-ene substituted by hydroxy groups at positions 11, 13 and 16, methoxy groups at positions 2 and 12 and an oxo group at position 1 (the 11α,12β stereoisomer). Stars This entity has been manually annotated by the ChEBI Team. 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 C22H34O7 Net Charge 0 Average Mass 410.50120 Monoisotopic Mass 410.23045 InChI InChI=1S/C22H34O7/c1-10-7-12(27-5)18(25)20(2)11(10)8-14-21(3)13(9-15(23)29-14)22(4,26)19(28-6)16(24)17(20)21/h7,10-11,13-17,19,23-24,26H,8-9H2,1-6H3/t10-,11+,13-,14-,15?,16+,17-,19-,20+,21-,22+/m1/s1 InChIKey POGHHDUAPIJTLG-XWNOXRIFSA-N SMILES [H][C@]12C[C@@]3([H])[C@H](C)C=C(OC)C(=O)[C@]3(C)[C@@]3([H])[C@H](O)[C@@H](OC)[C@@](C)(O)[C@]([H])(CC(O)O1)[C@]23C Roles Classification Application(s): antifeedant A substance that prevents pests from feeding. View more via ChEBI Ontology ChEBI Ontology Outgoing nigakihemiacetal A (CHEBI:7567) has parent hydride picrasane (CHEBI:36506) nigakihemiacetal A (CHEBI:7567) has role antifeedant (CHEBI:22583) nigakihemiacetal A (CHEBI:7567) is a lactol (CHEBI:38131) nigakihemiacetal A (CHEBI:7567) is a organic heterotetracyclic compound (CHEBI:38163) nigakihemiacetal A (CHEBI:7567) is a quassinoid (CHEBI:72485) IUPAC Name (11α,12β)-11,13,16-trihydroxy-2,12-dimethoxypicras-2-en-1-one Manual Xrefs Databases C00003721 KNApSAcK C08772 KEGG COMPOUND View more database links Registry Numbers Types Sources 1665802 Reaxys Registry Number Reaxys 30248-05-6 CAS Registry Number KEGG COMPOUND Last Modified 28 July 2014