5-methyl-3,7-dioxo-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹?]hexadec-10-en-5-yl acetate
AlkaPlorer ID: AK345310
Synonym: None
IUPAC Name: [(1R,5S,16S)-5-methyl-3,7-dioxo-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-en-5-yl] acetate
Structure
SMILES: CC(=O)O[C@@]1(C)CC(=O)OCC2=CCN3CC[C@@H](OC(=O)C1)[C@H]23
InChI: InChI=1S/C16H21NO6/c1-10(18)23-16(2)7-13(19)21-9-11-3-5-17-6-4-12(15(11)17)22-14(20)8-16/h3,12,15H,4-9H2,1-2H3/t12-,15+,16+/m1/s1
InChIKey: BNGPHQUXXYPQBM-KCXAZCMYSA-N
Reference
Pyrrolizidine alkaloids from Crotalaria lachnosema and C. Naragutensis
PubChem CID: 163190943
LOTUS: LTS0085300
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria lachnosema | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 323.3450000000001
TPSA？: 82.14000000000001
MolLogP？: 0.5712999999999997
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|