Integerrimine
AlkaPlorer ID: AK010790
Synonym: 'aureine', '', 'Senecionine', 'Senecionin', 'Aureine', 'senecionine', 'Integerrimine', 'Squalidine'
IUPAC Name: (1R,4E,6S,7R,17S)-4-ethylidene-7-hydroxy-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=CCN3CC[C@@H](OC1=O)[C@H]23
InChI: InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14+,15-,18+/m0/s1
InChIKey: HKODIGSRFALUTA-MCILOGKXSA-N
Reference
The pyrrolizidine alkaloids of Senecio triangularis
PubChem CID: 162932519
LOTUS: LTS0029015
SuperNatural Ⅲ: SN0128182-11
NPASS: NPC202434
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Jacobaea maritima | Jacobaea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Podocarpus nakaii | Podocarpus | Podocarpaceae | Araucariales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 335.40000000000003
TPSA？: 76.07
MolLogP？: 1.1928
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|