(-)-13a-alpha-6-O-desmethyl-antofine
AlkaPlorer ID: AK001072
Synonym: None
IUPAC Name: (13aS)-2,3-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[10,9-f]indolizin-6-ol
Structure
SMILES: COC1=CC2=C3C[C@@H]4CCCN4CC3=C3C=CC(O)=CC3=C2C=C1OC
InChI: InChI=1S/C22H23NO3/c1-25-21-10-18-16-8-13-4-3-7-23(13)12-20(16)15-6-5-14(24)9-17(15)19(18)11-22(21)26-2/h5-6,9-11,13,24H,3-4,7-8,12H2,1-2H3/t13-/m0/s1
InChIKey: BFZAOGGSKQRCNS-ZDUSSCGKSA-N
Reference
Alkaloids of <i>Cynanchum vincetoxicum</i>: Efficacy against MDA‐MB‐231 Mammary Carcinoma Cells
PubChem CID: 50916815
LOTUS: LTS0249667
SuperNatural Ⅲ: SN0024460-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 349.43000000000006
TPSA？: 41.93000000000001
MolLogP？: 4.236300000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | GI50 | 40.0 | nM | 10.1016/j.ejmech.2012.02.048 |
| Homo sapiens | A549 | Inhibition | 21.9 | % | 10.1016/j.ejmech.2012.02.048 |
| Homo sapiens | A549 | Inhibition | 71.3 | % | 10.1016/j.ejmech.2012.02.048 |
| Homo sapiens | A549 | Inhibition | 85.9 | % | 10.1016/j.ejmech.2012.02.048 |
| Homo sapiens | Bel-7402 | IC50 | 292.0 | nM | 10.1016/j.bmc.2019.05.030 |
| Homo sapiens | HL-60 | GI50 | 100.0 | nM | 10.1016/j.ejmech.2012.02.048 |
| Homo sapiens | HL-60 | IC50 | 50.0 | nM | 10.1016/j.bmc.2019.05.030 |
| Homo sapiens | HL-60 | Inhibition | 37.4 | % | 10.1016/j.ejmech.2012.02.048 |
| Homo sapiens | HL-60 | Inhibition | 76.1 | % | 10.1016/j.ejmech.2012.02.048 |
| Homo sapiens | HL-60 | Inhibition | 85.8 | % | 10.1016/j.ejmech.2012.02.048 |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 17.8 | % | 10.1021/jf304905k |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 19.5 | % | 10.1021/jf304905k |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 21.3 | % | 10.1021/jf304905k |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 23.2 | % | 10.1021/jf304905k |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 43.2 | % | 10.1021/jf304905k |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 46.2 | % | 10.1021/jf304905k |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 49.6 | % | 10.1021/jf304905k |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 52.2 | % | 10.1021/jf304905k |