None
AlkaPlorer ID: AK441707
Synonym: None
IUPAC Name: (1R,4R,5S,6R,13R,16S)-6,16-dihydroxy-5,6,13-trimethyl-4-propan-2-yl-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Structure
SMILES: CC(C)[C@H]1C(=O)O[C@@H]2CC[N@+]3(C)CC=C(COC(=O)[C@](C)(O)[C@H]1C)[C@]23O
InChI: InChI=1S/C19H30NO6/c1-11(2)15-12(3)18(4,23)17(22)25-10-13-6-8-20(5)9-7-14(19(13,20)24)26-16(15)21/h6,11-12,14-15,23-24H,7-10H2,1-5H3/q+1/t12-,14+,15+,18+,19-,20-/m0/s1
InChIKey: LCOIDUGPENFNRP-DMYWNUKNSA-N
Reference
Pyrrolizidine alkaloids from Crotalaria aegyptiaca
PubChem CID: 169196
CAS: 35620-71-4
LOTUS: LTS0050591
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria verrucosa | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.4500000000001
TPSA？: 93.06
MolLogP？: 0.5932
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|