5-hydroxy-6-methoxyonychine
AlkaPlorer ID: AK025680
Synonym: '', '5-Hydroxy-6-methoxyonychine'
IUPAC Name: 9-hydroxy-8-methoxy-4-methylindeno[1,2-b]pyridin-5-one
Structure
SMILES: COC1=CC=C2C(=O)C3=C(C)C=CN=C3C2=C1O
InChI: InChI=1S/C14H11NO3/c1-7-5-6-15-12-10(7)13(16)8-3-4-9(18-2)14(17)11(8)12/h3-6,17H,1-2H3
InChIKey: ZHJQMWOBQVMZLS-UHFFFAOYSA-N
Reference
Cytotoxic Constituents of <i>Polyalthia </i><i>l</i><i>ongifolia </i>var. <i>p</i><i>endula</i>
PubChem CID: 183441
CAS: 112368-57-7
LOTUS: LTS0024427
SuperNatural Ⅲ: SN0470433
COCONUT: CNP0254088
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mitrephora diversifolia | Mitrephora | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 241.246
TPSA？: 59.42
MolLogP？: 2.3156200000000005
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | AGS | IC50 | 30000.0 | nM | 10.1021/np000176e |
| Homo sapiens | DLD-1 | IC50 | 30000.0 | nM | 10.1021/np000176e |
| Homo sapiens | HEK293 | GI | 96.0 | % | 10.1021/np900247f |
| Homo sapiens | HepG2 | IC50 | 30000.0 | nM | 10.1021/np000176e |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 9900.0 | nM | 10.1021/np900247f |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 11400.0 | nM | 10.1021/np900247f |
| None | NON-PROTEIN TARGET | IC50 | 21700.0 | nM | 10.1021/np000176e |