Crotafoline
AlkaPlorer ID: AK293241
Synonym: 12-Hydroxy-14-methyl-18-norsenecionan-8,11,16-trione
IUPAC Name: None
Structure
SMILES: CC=C1CC(C)C(O)C(=O)OCC2=CC[N+]3(C)CCC(OC1=O)C23[O-]
InChI: InChI=1S/C18H25NO6/c1-4-12-9-11(2)15(20)17(22)24-10-13-5-7-19(3)8-6-14(18(13,19)23)25-16(12)21/h4-5,11,14-15,20H,6-10H2,1-3H3
InChIKey: JKIAUNKAKJVDHS-UHFFFAOYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria laburnifolia | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 351.39900000000006
TPSA？: 95.89
MolLogP？: -0.3646999999999987
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|