Crotalarine
AlkaPlorer ID: AK293242
Synonym: 14,19-Dihydro-12,13-dihydroxy-14-methylcrotalanan-11,15-dione, Croburhine
IUPAC Name: 4-ethyl-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: CCC1(C)C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)C23
InChI: InChI=1S/C18H27NO6/c1-5-16(2)14(20)25-12-7-9-19-8-6-11(13(12)19)10-24-15(21)17(3,22)18(16,4)23/h6,12-13,22-23H,5,7-10H2,1-4H3
InChIKey: UWVWNXIKNRJZDC-UHFFFAOYSA-N
Reference
Pyrrolizidine alkaloids from Crotalaria aegyptiaca
PubChem CID: 73745631
LOTUS: LTS0021869
COCONUT: CNP0164065.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria burhia | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Crotalaria aegyptiaca | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 353.415
TPSA？: 96.3
MolLogP？: 0.3876
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|