(-)-14beta-hydroxy-13a-alpha-antofine
AlkaPlorer ID: AK056038
Synonym: None
IUPAC Name: (13aR,14R)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
Structure
SMILES: COC1=CC=C2C3=C(C4=CC(OC)=C(OC)C=C4C2=C1)[C@@H](O)[C@H]1CCCN1C3
InChI: InChI=1S/C23H25NO4/c1-26-13-6-7-14-15(9-13)16-10-20(27-2)21(28-3)11-17(16)22-18(14)12-24-8-4-5-19(24)23(22)25/h6-7,9-11,19,23,25H,4-5,8,12H2,1-3H3/t19-,23+/m1/s1
InChIKey: VEPWWLXWVFFRLY-XXBNENTESA-N
Source
Properties Information
Molecule Weight: 379.4560000000001
TPSA？: 51.16
MolLogP？: 4.030200000000003
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | GI50 | 10000.0 | nM | 10.1016/j.ejmech.2012.02.048 |
| Homo sapiens | HL-60 | GI50 | 10000.0 | nM | 10.1016/j.ejmech.2012.02.048 |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 7.3 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 10.2 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 14.2 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 34.9 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 38.5 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 39.6 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 21.6 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 43.5 | % | 10.1021/jf303550a |