13-hydroxylupanine
AlkaPlorer ID: AK014078
Synonym: '', '13alpha-hydroxyspartein-2-one', '(+)-13alpha-Hydroxylupanine', '13-Hydroxy-alpha-isolupanine', '13-Hydroxylupinine', '(+)-13-Hydroxylupanine', '13beta-Hydroxylupanine', '13alpha-Hydroxyisolupanine', '13-Hydroxylupanine'
IUPAC Name: (1S,2R,9S,10S,12R)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
Structure
SMILES: O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1C[C@H](O)CCN1C3
InChI: InChI=1S/C15H24N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h10-14,18H,1-9H2/t10-,11-,12+,13+,14-/m0/s1
InChIKey: JVYKIBAJVKEZSQ-QNSTZXKLSA-N
Reference
Lupin alkaloids from Lupinus polyphyllus
PubChem CID: 12310672
LOTUS: LTS0085109
SuperNatural Ⅲ: SN0176768-05
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lupinus polyphyllus | Lupinus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 264.369
TPSA？: 43.78000000000001
MolLogP？: 0.8425
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 140000.0 | nM | 10.1021/np50111a026 |
| None | Unchecked | IC50 | 490000.0 | nM | 10.1021/np50111a026 |