UNPD5919
AlkaPlorer ID: AK254906
Synonym: None
IUPAC Name: (1R,6R,7S)-4-ethylidene-7-hydroxy-6,14-dimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
Structure
SMILES: CC=C1C[C@@H](C)[C@H](O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O
InChI: InChI=1S/C18H25NO6/c1-4-12-9-11(2)15(20)18(23)24-10-13-5-7-19(3)8-6-14(16(13)21)25-17(12)22/h4-5,11,14-15,20H,6-10H2,1-3H3/t11-,14-,15+/m1/s1
InChIKey: SBCVZQRQMVMRIC-DFBGVHRSSA-N
Reference
Pyrrolizidine and seco-pyrrolizidine alkaloids of Crotalaria laburnifolia L. subspecies eldomae
PubChem CID: 163081802
LOTUS: LTS0199103
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria laburnifolia | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 351.39900000000006
TPSA？: 93.14
MolLogP？: 0.6194000000000002
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|