(20R,21S)-5,10,11-trimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2,4,6,8,10,12-heptaen-21-ol
AlkaPlorer ID: AK003623
Synonym: None
IUPAC Name: (13aR,14R)-3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
Structure
SMILES: COC1=CC=C2C3=C(CN4CCC[C@@H]4[C@@H]3O)C3=CC(OC)=C(OC)C=C3C2=C1
InChI: InChI=1S/C23H25NO4/c1-26-13-6-7-14-15(9-13)16-10-20(27-2)21(28-3)11-17(16)18-12-24-8-4-5-19(24)23(25)22(14)18/h6-7,9-11,19,23,25H,4-5,8,12H2,1-3H3/t19-,23+/m1/s1
InChIKey: LAWAARLALKUFQQ-XXBNENTESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 379.4560000000001
TPSA？: 51.16000000000001
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 | 3700.0 | nM | 10.1016/j.ejmech.2012.02.048 |
| Homo sapiens | A549 | IC50 | 15.5 | nM | 10.1016/j.bmcl.2010.11.008 |
| Homo sapiens | HL-60 | GI50 | 300.0 | nM | 10.1016/j.ejmech.2012.02.048 |
| Homo sapiens | HT-29 | IC50 | 20.8 | nM | 10.1016/j.bmcl.2010.11.008 |
| Homo sapiens | KB | IC50 | 47.4 | nM | 10.1016/j.bmcl.2010.11.008 |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 27.8 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 30.2 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 33.3 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 51.2 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 54.4 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Activity | 56.2 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 33.1 | % | 10.1021/jf303550a |
| Tobacco mosaic virus | Tobacco mosaic virus | Inhibition | 47.7 | % | 10.1021/jf303550a |