(-)-12beta-Hydroxysophocarpine
AlkaPlorer ID: AK003947
Synonym: '', '12beta-Hydroxysophocarpine'
IUPAC Name: (1S,2S,3R,9S,17S)-3-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
Structure
SMILES: O=C1C=C[C@@H](O)[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34
InChI: InChI=1S/C15H22N2O2/c18-12-5-6-13(19)17-9-10-3-1-7-16-8-2-4-11(14(10)16)15(12)17/h5-6,10-12,14-15,18H,1-4,7-9H2/t10-,11-,12+,14-,15-/m0/s1
InChIKey: RAGVUCIHXGJGEQ-QIRZIZBZSA-N
Reference
Antiviral Matrine-Type Alkaloids from the Rhizomes of <i>Sophora tonkinensis</i>
PubChem CID: 12133309
LOTUS: LTS0088054
SuperNatural Ⅲ: SN0319990-02
NPASS: NPC100810
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sophora tonkinensis | Sophora | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 262.3529999999999
TPSA？: 43.78
MolLogP？: 0.6185
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Canis lupus familiaris | MDCK | TC50 | 762.34 | uM | 10.1021/acs.jnatprod.5b00325 |
| Coxsackievirus B3 | Coxsackievirus B3 | Inhibition | nan | % | 10.1021/acs.jnatprod.5b00325 |
| Influenza A virus | Influenza A virus | IC50 | 242460.0 | nM | 10.1021/acs.jnatprod.5b00325 |
| None | Unchecked | Selectivity Index | 3.1 | None | 10.1021/acs.jnatprod.5b00325 |