Hypoestestatin 1
AlkaPlorer ID: AK001341
Synonym: None
IUPAC Name: (13aS)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
Structure
SMILES: COC1=CC=C2C3=C(C[C@@H]4CCCN4C3)C3=CC(OC)=C(OC)C=C3C2=C1
InChI: InChI=1S/C23H25NO3/c1-25-15-6-7-16-18(10-15)20-12-23(27-3)22(26-2)11-19(20)17-9-14-5-4-8-24(14)13-21(16)17/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3/t14-/m0/s1
InChIKey: NCVWJDISIZHFQS-AWEZNQCLSA-N
Reference
Phenanthroindolizidine Alkaloids and Their Cytotoxicity from the Leaves of Ficus septica
PubChem CID: 12019847
LOTUS: LTS0008160
SuperNatural Ⅲ: SN0242046-01
NPASS: NPC90844
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vincetoxicum pycnostelma | Vincetoxicum | Apocynaceae | Gentianales | 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 | GI50 | 300.0 | nM | 10.1016/j.ejmech.2012.02.048 |
| Homo sapiens | HL-60 | GI50 | 200.0 | nM | 10.1016/j.ejmech.2012.02.048 |
| Mus musculus | P388 | ED50 | 2.3 | 10'-5 ug/ml | 10.1021/np50036a001 |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 26.7 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 28.4 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 37.2 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 51.1 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 55.5 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 56.4 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 26.7 | % | 10.1021/jf304905k |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 28.4 | % | 10.1021/jf304905k |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 30.5 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 30.5 | % | 10.1021/jf304905k |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 37.2 | % | 10.1021/jf304905k |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 51.1 | % | 10.1021/jf304905k |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 55.5 | % | 10.1021/jf304905k |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 56.4 | % | 10.1021/jf304905k |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 60.2 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 60.2 | % | 10.1021/jf304905k |