Tylophorinine; (13aS,14R)-form, Deoxy
AlkaPlorer ID: AK316987
Synonym: 14-Deoxypergularinine, 3,6,7-Trimethoxyphenanthroindolizidine
IUPAC Name: 3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
Structure
SMILES: COC1=CC=C2C3=C(CN4CCCC4C3)C3=CC(OC)=C(OC)C=C3C2=C1
InChI: InChI=1S/C23H25NO3/c1-25-15-6-7-16-17-9-14-5-4-8-24(14)13-21(17)20-12-23(27-3)22(26-2)11-19(20)18(16)10-15/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3
InChIKey: RFPUTOSCASFEEO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ficus hispida | Ficus | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 363.4570000000001
TPSA？: 30.930000000000003
MolLogP？: 4.539300000000004
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | EC50 | 0.011 | ug.mL-1 | 10.1016/j.bmc.2008.04.032 |
| Homo sapiens | KB | EC50 | 0.023 | ug.mL-1 | 10.1016/j.bmc.2008.04.032 |
| Homo sapiens | MCF7 | EC50 | 0.043 | ug.mL-1 | 10.1016/j.bmc.2008.04.032 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 6.25 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 26.1 | % | 10.1021/jf902543r |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 60.0 | % | 10.1021/jf902543r |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 67.4 | % | 10.1021/jf902543r |
| Tobacco mosaic virus | Tobacco mosaic virus | EC50 | 25.0 | ug.mL-1 | 10.1021/jf902543r |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 65.0 | % | 10.1021/jf902543r |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 66.7 | % | 10.1021/jf902543r |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 75.0 | % | 10.1021/jf902543r |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 79.2 | % | 10.1021/jf902543r |
| None | NON-PROTEIN TARGET | EC50 | 0.016 | ug.mL-1 | 10.1016/j.bmc.2008.04.032 |