Axillarine; 12-Deoxy
AlkaPlorer ID: AK289854
Synonym: 12-Deoxyaxillarine, 12-Desoxyaxillarine
IUPAC Name: 6-hydroxy-6-(1-hydroxyethyl)-4-propan-2-yl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Structure
SMILES: CC(C)C1CC(O)(C(C)O)C(=O)OCC2=CCN3CCC(OC1=O)C23
InChI: InChI=1S/C18H27NO6/c1-10(2)13-8-18(23,11(3)20)17(22)24-9-12-4-6-19-7-5-14(15(12)19)25-16(13)21/h4,10-11,13-15,20,23H,5-9H2,1-3H3
InChIKey: QFUAXLZCUKBODH-UHFFFAOYSA-N
Reference
Pyrrolizidine alkaloids from seeds of Crotalaria scassellatii
PubChem CID: 14191174
LOTUS: LTS0199434
COCONUT: CNP0143994.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria scassellatii | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 353.41500000000013
TPSA？: 96.3
MolLogP？: 0.2435000000000002
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|