Anacrotine
AlkaPlorer ID: AK024215
Synonym: '', 'Anacrotine'
IUPAC Name: (1S,4E,6S,7R,16R,17R)-4-ethylidene-7,16-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Structure
SMILES: C/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@@H]23
InChI: InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4+/t10-,13+,14+,15+,18+/m0/s1
InChIKey: NPYPUYCITBTPSF-QKHRKWOFSA-N
Reference
Pyrrolizidine alkaloids from seeds ofCrotalaria capensis
PubChem CID: 22524171
LOTUS: LTS0267790
SuperNatural Ⅲ: SN0252153-10
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria capensis | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 351.399
TPSA？: 96.3
MolLogP？: 0.1636000000000002
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|