Bisline; 15-Deoxy
AlkaPlorer ID: AK290743
Synonym: 15,20-Dihydro-12-hydroxysenecionan-11,16-dione, Yamataimine, Duciformine
IUPAC Name: 4-ethyl-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Structure
SMILES: CCC1CC(C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C23
InChI: InChI=1S/C18H27NO5/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/h5,11-12,14-15,22H,4,6-10H2,1-3H3
InChIKey: RRIMIQDGHHBXCP-UHFFFAOYSA-N
Reference
New Pyrrolizidine Alkaloids from Ligularia tsangchanensis
PubChem CID: 73657404
LOTUS: LTS0155856
COCONUT: CNP0145159.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cacalia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ligularia duciformis | Ligularia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 337.41600000000005
TPSA？: 76.07
MolLogP？: 1.2727
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|