Term: | notoamide D |
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Accession: | CHEBI:145686
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Definition: | An organic heterohexacyclic compound isolated from a mussel-derived Aspergillus species that is 3,6b,7,7a,10,11,12,12a,14a,15-decahydro-8H,13H-pyrano[2,3-g]pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-8,13-dione which is substituted by two methyl groups at position 3, a hydroxy group at the 6b position, and a 2-methylbut-3-en-2-yl group at the 14a position (the 6bR, 7aS, 12aS, 14aS stereoisomer). |
Synonyms: | exact_synonym: | (6bR,7aS,12aS,14aS)-6b-hydroxy-3,3-dimethyl-14a-(2-methylbut-3-en-2-yl)-3,6b,7,7a,10,11,12,12a,14a,15-decahydro-8H,13H-pyrano[2,3-g]pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-8,13-dione |
| related_synonym: | Formula=C26H31N3O4; InChI=1S/C26H31N3O4/c1-6-23(2,3)26-25(32,14-18-21(30)28-13-7-8-17(28)22(31)29(18)26)16-9-10-19-15(20(16)27-26)11-12-24(4,5)33-19/h6,9-12,17-18,27,32H,1,7-8,13-14H2,2-5H3/t17-,18-,25+,26-/m0/s1; InChIKey=ZPTMKNVJQZMLNE-SSQYTKQRSA-N; SMILES=N12C([C@]3(N(C([C@@]1(CCC2)[H])=O)[C@]4([C@@](C3)(C5=CC=C6C(=C5N4)C=CC(O6)(C)C)O)C(C)(C)C=C)[H])=O |
| xref: | CAS:937251-98-4; KNApSAcK:C00039874; MetaCyc:CPD-17361; PMID:22140281; PMID:22188465; PMID:23213353; PMID:26061478; PMID:26287214 |
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