1'-o-acetylpaxilline

Formula: C29H35NO5
Molecular weight: 477.60
Smiles: CC(=O)OC(C)(C)C1C(=O)C=C2C(O1)CCC3(C2(CCC4C3(C5=C(C4)C6=CC=CC=C6N5)C)O)C

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1'-o-acetylpaxilline

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: 1'-o-acetylpaxilline
First synonym: 1'-o-acetylpaxilline
Synonyms: 1'-O-Acetylpaxilline,UNII-P2WL8YH7EG,P2WL8YH7EG,121998-08-1,2-[(1S,2R,5S,7R,11S,14S)-11-hydroxy-1,2-dimethyl-8-oxo-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-7-yl]propan-2-yl acetate,DTXSID40924039,CHEBI:186023,2-(4b-Hydroxy-12b,12c-dimethyl-3-oxo-3,4b,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2H-[1]benzopyrano[5',6':6,7]indeno[1,2-b]indol-2-yl)propan-2-yl acetate,2H-1-Benzopyrano(5',6':6,7)indeno(1,2-b)indol-3(4bH)-one, 2-(1-(acetyloxy)-1-methylethyl)-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-12b,12c-dimethyl-, (2R-(2alpha,4bbeta,6aalpha,12bbeta,12calpha,14abeta))-

Smiles: CC(=O)OC(C)(C)C1C(=O)C=C2C(O1)CCC3(C2(CCC4C3(C5=C(C4)C6=CC=CC=C6N5)C)O)C
Isomeric smiles: CC(=O)OC(C)(C)[C@@H]1C(=O)C=C2[C@@H](O1)CC[C@]3([C@]2(CC[C@@H]4[C@@]3(C5=C(C4)C6=CC=CC=C6N5)C)O)C
Inchi: InChI=1S/C29H35NO5/c1-16(31)35-26(2,3)25-22(32)15-20-23(34-25)11-12-27(4)28(5)17(10-13-29(20,27)33)14-19-18-8-6-7-9-21(18)30-24(19)28/h6-9,15,17,23,25,30,33H,10-14H2,1-5H3/t17-,23-,25-,27+,28+,29+/m0/s1
Inchikey: OHPVFSRTGKOAHP-FPCGACKZSA-N

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Fungi id	Species
473	Emericella striata