(1R,4R,7S,18S)-4-ethyl-7,14,18-trimethyl-2,6,9-trioxa-14-azatricyclo[9.5.1.1⁴,⁷]octadec-11-ene-3,5,8,17-tetrone
AlkaPlorer ID: AK211756
Synonym: None
IUPAC Name: (1R,4R,7S,11Z,18S)-4-ethyl-7,14,18-trimethyl-2,6,9-trioxa-14-azatricyclo[9.5.1.14,7]octadec-11-ene-3,5,8,17-tetrone
Structure
SMILES: CC[C@@]12C(=O)O[C@@H]3CCN(C)C/C=C(/COC(=O)[C@@](C)(OC1=O)[C@H]2C)C3=O
InChI: InChI=1S/C19H25NO7/c1-5-19-11(2)18(3,27-17(19)24)15(22)25-10-12-6-8-20(4)9-7-13(14(12)21)26-16(19)23/h6,11,13H,5,7-10H2,1-4H3/b12-6-/t11-,13-,18+,19-/m1/s1
InChIKey: DEVNDOKWQVKIND-FJRNAGRFSA-N
Reference
The alkaloids of Crotalaria retusa L
PubChem CID: 162984318
LOTUS: LTS0242952
SuperNatural Ⅲ: SN0063894-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria retusa | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 379.4090000000001
TPSA？: 99.20999999999998
MolLogP？: 0.6339999999999999
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|