1-methoxycanthinone
AlkaPlorer ID: AK044470
Synonym: '1-methoxycanthin-6-one'
IUPAC Name: 8-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Structure
SMILES: COC1=CN=C2C=CC(=O)N3C4=CC=CC=C4C1=C23
InChI: InChI=1S/C15H10N2O2/c1-19-12-8-16-10-6-7-13(18)17-11-5-3-2-4-9(11)14(12)15(10)17/h2-8H,1H3
InChIKey: LEPXKGXTXIACRO-UHFFFAOYSA-N
Reference
Indole alkaloids from Hannoa klaineana roots
PubChem CID: 483522
CAS: 60755-86-4
LOTUS: LTS0112970
SuperNatural Ⅲ: SN0203355
COCONUT: CNP0118300
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 250.257
TPSA？: 43.6
MolLogP？: 2.4473000000000003
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | ED50 | 4.3 | ug ml-1 | 10.1021/np000260u |
| Homo sapiens | CAKI-1 | ED50 | 3.6 | ug ml-1 | 10.1021/np000260u |
| Homo sapiens | H9 | IC50 | 100.0 | ug.mL-1 | 10.1021/np000260u |
| Homo sapiens | HCT-8 | ED50 | 3.6 | ug ml-1 | 10.1021/np000260u |
| Homo sapiens | KB | ED50 | 3.6 | ug ml-1 | 10.1021/np000260u |
| Homo sapiens | MCF7 | ED50 | 13.5 | ug ml-1 | 10.1021/np000260u |
| Homo sapiens | Protein-tyrosine phosphatase 1B | Inhibition | 23.7 | % | 10.1016/j.bmcl.2015.03.014 |
| Homo sapiens | SK-MEL-2 | ED50 | 20.0 | ug ml-1 | 10.1021/np000260u |
| Homo sapiens | SK-MEL-2 | Inhibition | 46.0 | % | 10.1021/np000260u |
| Human immunodeficiency virus | Human immunodeficiency virus | EC50 | 20.6 | ug.mL-1 | 10.1021/np0400196 |
| Human immunodeficiency virus | Human immunodeficiency virus | IC50 | 0.256 | ug.mL-1 | 10.1021/np000260u |
| None | ADMET | Ratio IC50/EC50 | 391.0 | None | 10.1021/np000260u |
| None | Keratinocyte | IC50 | 5.76 | ug.mL-1 | 10.1016/j.ejmech.2021.113688 |
| None | NON-PROTEIN TARGET | IC50 | 5.76 | ug.mL-1 | 10.1021/np50027a014 |