Axillarine
AlkaPlorer ID: AK289852
Synonym: None
IUPAC Name: 5,6-dihydroxy-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)C1C(=O)OC2CCN3CC=C(COC(=O)C(O)(C(C)O)C1O)C23
InChI: InChI=1S/C18H27NO7/c1-9(2)13-15(21)18(24,10(3)20)17(23)25-8-11-4-6-19-7-5-12(14(11)19)26-16(13)22/h4,9-10,12-15,20-21,24H,5-8H2,1-3H3
InChIKey: JGQRXNDIMGIXDT-UHFFFAOYSA-N
Reference
The structure of axillarin, a novel pyrrolizidine alkaloid from Crotalaria axillaris ait
PubChem CID: 309285
CAS: 19637-66-2
LOTUS: LTS0230665
COCONUT: CNP0285063.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria scassellatii | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 369.414
TPSA？: 116.53
MolLogP？: -0.7856999999999983
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|