13-alpha-Tigloyloxy-lupanine
AlkaPlorer ID: AK151175
Synonym: '', '13alpha-(Tigloyloxy)lupanine', '13alpha-(Angeloyloxy)lupanine'
IUPAC Name: [(1S,2S,4S,9S,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (Z)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(/C)C(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1
InChI: InChI=1S/C20H30N2O3/c1-3-13(2)20(24)25-16-7-8-21-11-14-9-15(18(21)10-16)12-22-17(14)5-4-6-19(22)23/h3,14-18H,4-12H2,1-2H3/b13-3-/t14-,15-,16-,17+,18-/m0/s1
InChIKey: UPVPJQNTGLTBPC-CDTWXTRXSA-N
Reference
Co-occurrence of hydroxylated lupanines and their corresponding angelate esters inPearsonia species
PubChem CID: 101617521
LOTUS: LTS0032319
SuperNatural Ⅲ: SN0376913-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pearsonia cajanifolia | Pearsonia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 346.4710000000001
TPSA？: 49.85
MolLogP？: 2.3595999999999995
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|