Tylophoridicine E
AlkaPlorer ID: AK028196
Synonym: None
IUPAC Name: (13aS,14S)-6,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine-3,14-diol
Structure
SMILES: COC1=CC2=C3CN4CCC[C@H]4[C@@H](O)C3=C3C=CC(O)=CC3=C2C=C1OC
InChI: InChI=1S/C22H23NO4/c1-26-19-9-15-14-8-12(24)5-6-13(14)21-17(16(15)10-20(19)27-2)11-23-7-3-4-18(23)22(21)25/h5-6,8-10,18,22,24-25H,3-4,7,11H2,1-2H3/t18-,22+/m0/s1
InChIKey: SBVBOLGVLBCFIL-PGRDOPGGSA-N
Reference
Cytotoxic Alkaloids from the Roots of<i>Tylophora atrofolliculata</i>
PubChem CID: 9907138
LOTUS: LTS0005738
NPASS: NPC134858
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 365.42900000000014
TPSA？: 62.16000000000001
MolLogP？: 3.7272000000000025
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 0.0004 | ug.mL-1 | 10.1021/jm0004042 |
| Homo sapiens | A549 | IC50 | 0.5 | nM | 10.1016/j.bmcl.2010.11.008 |
| Homo sapiens | A549 | IC50 | 2.7 | nM | 10.1016/j.bmcl.2011.07.120 |
| Homo sapiens | DLD-1 | IC50 | 0.0005 | ug.mL-1 | 10.1021/jm0004042 |
| Homo sapiens | HCT-116 | IC50 | 1.3 | nM | 10.1016/j.bmcl.2011.07.120 |
| Homo sapiens | HeLa | IC50 | 0.0008 | ug.mL-1 | 10.1021/jm0004042 |
| Homo sapiens | HepG2 | Activity | nan | None | 10.1016/j.bmcl.2007.05.021 |
| Homo sapiens | HepG2 | GI50 | 5000.0 | nM | 10.1016/j.bmcl.2007.05.021 |
| Homo sapiens | HT-29 | IC50 | 1.6 | nM | 10.1016/j.bmcl.2010.11.008 |
| Homo sapiens | HT-29 | IC50 | 2.9 | nM | 10.1016/j.bmcl.2011.07.120 |
| Homo sapiens | K562 | IC50 | 0.0004 | ug.mL-1 | 10.1021/jm0004042 |
| Homo sapiens | KB | IC50 | 5.2 | nM | 10.1016/j.bmcl.2010.11.008 |
| Homo sapiens | PANC-1 | GI50 | 5000.0 | nM | 10.1016/j.bmcl.2007.05.021 |
| Homo sapiens | Proto-oncogene c-JUN | IC50 | 3000.0 | nM | 10.1016/j.bmcl.2007.05.021 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1016/j.bmcl.2010.11.008 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1016/j.bmcl.2011.07.120 |
| None | NON-PROTEIN TARGET | GI | 30.6 | % | 10.1016/j.bmcl.2011.07.120 |
| None | NON-PROTEIN TARGET | Inhibition | 30.6 | % | 10.1016/j.bmcl.2010.11.008 |
| None | Unchecked | IC50 | 1000.0 | nM | 10.1016/j.bmcl.2007.05.021 |