Monocrotaline
AlkaPlorer ID: AK013937
Synonym: None
IUPAC Name: (1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Structure
SMILES: C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
InChI: InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1
InChIKey: QVCMHGGNRFRMAD-XFGHUUIASA-N
Reference
Effects of feeding diets containing <i>Crotalaria retusa</i> L. seed to growing pigs
PubChem CID: 9415
CAS: 315-22-0
LOTUS: LTS0048870
NPASS: NPC30911
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senecio scandens | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.361
TPSA？: 96.3
MolLogP？: -0.3925999999999994
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3