AVENACIN B-1
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 90657695
Name
AVENACIN B-1
IUPAC name
(2S,3R,4aR,4bS,5aR,6aR,6bR,9S,10aR,12aR,12bS,14S,14aS)-3-formyl-14-hydroxy-9-(((2S,3R,4S,5S)-4-hydroxy-3,5-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,6b,10,10,12a,12b,14a-heptamethylicosahydro-1H-piceno[12b,13-b]oxiren-2-yl 2-(methylamino)benzoate
SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C[C@@H]4[C@]5([C@]3(C[C@@H]([C@@]6([C@H]5C[C@@]([C@H](C6)OC(=O)C7=CC=CC=C7NC)(C)C=O)C)O)C)O4)C)(C)C)O[C@H]8[C@@H]([C@H]([C@H](CO8)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Molecular formula
C55H83NO20
Molecular weight
1,078.26 g/mol
Monoisotopic mass
1,077.5508 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Arrhenatherum elatius (L.) P.Beauv. ex J.Presl & C.Presl subsp. elatius | root | - |
Crombie, W.M.L., Crombie, L. (1986). Distribution of Avenacins a-1, a-2, b-1 and b-2 in oat roots: their fungicidal activity towards 'take-all' fungus. Phytochemistry, 25(9), 2069-2073 doi:10.1016/0031-9422(86)80068-1
|
| Avena ludoviciana Durieu | root | - |
Crombie, W.M.L., Crombie, L. (1986). Distribution of Avenacins a-1, a-2, b-1 and b-2 in oat roots: their fungicidal activity towards 'take-all' fungus. Phytochemistry, 25(9), 2069-2073 doi:10.1016/0031-9422(86)80068-1
|