(1R,4R,5S,6R)-6-hydroxy-4-isopropyl-5,6,13-trimethyl-2,8-dioxa-13-azabicyclo[8.5.1]hexadec-10-ene-3,7,16-trione
AlkaPlorer ID: AK033717
Synonym: None
IUPAC Name: (1R,4R,5S,6R,10Z)-6-hydroxy-5,6,13-trimethyl-4-propan-2-yl-2,8-dioxa-13-azabicyclo[8.5.1]hexadec-10-ene-3,7,16-trione
Structure
SMILES: CC(C)[C@H]1C(=O)O[C@@H]2CCN(C)C/C=C(/COC(=O)[C@](C)(O)[C@H]1C)C2=O
InChI: InChI=1S/C19H29NO6/c1-11(2)15-12(3)19(4,24)18(23)25-10-13-6-8-20(5)9-7-14(16(13)21)26-17(15)22/h6,11-12,14-15,24H,7-10H2,1-5H3/b13-6-/t12-,14+,15+,19+/m0/s1
InChIKey: MODJNYOZJNBECF-XIGATLJBSA-N
Reference
Crosemperine, a new otonecine ester from Crotalaria semperflorens Vent
PubChem CID: 134714997
LOTUS: LTS0020764
SuperNatural Ⅲ: SN0230852-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria verrucosa | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 367.44200000000006
TPSA？: 93.14
MolLogP？: 0.9452999999999994
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|