UNPD146985
AlkaPlorer ID: AK028561
Synonym: None
IUPAC Name: (8R,9R,11Z,14R,15S,16R)-11-ethylidene-8,15-dihydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione
Structure
SMILES: C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](OC1=O)[C@@H](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(25-16(11)21)15(20)14(12)19/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4-/t10-,13-,14-,15-,18-/m1/s1
InChIKey: QBXXZMDYXQHARQ-TZCAYXSXSA-N
Reference
Pyrrolizidine and seco-pyrrolizidine alkaloids of Crotalaria laburnifolia L. subspecies eldomae
PubChem CID: 162964920
LOTUS: LTS0042366
SuperNatural Ⅲ: SN0301199-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria laburnifolia | 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 |
|---|