3alpha-Hydroxylupanine
AlkaPlorer ID: AK026640
Synonym: '', '3beta-Hydroxylupanine'
IUPAC Name: (1S,2R,5R,9S,10S)-5-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
Structure
SMILES: O=C1[C@H](O)CC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1CCCCN1C3
InChI: InChI=1S/C15H24N2O2/c18-14-5-4-13-10-7-11(9-17(13)15(14)19)12-3-1-2-6-16(12)8-10/h10-14,18H,1-9H2/t10-,11-,12-,13+,14+/m0/s1
InChIKey: FROKOSJUHZENQC-QSLWVIQJSA-N
Reference
A lupine alkaloid from Leontice leontopetalum
PubChem CID: 44559669
LOTUS: LTS0080464
SuperNatural Ⅲ: SN0093665-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ammopiptanthus mongolicus | Ammopiptanthus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 264.369
TPSA？: 43.78
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 | 74000.0 | nM | 10.1021/np50111a026 |
| None | Unchecked | IC50 | 190000.0 | nM | 10.1021/np50111a026 |