12-methoxy-2,8-diazatetracyclo[7.6.1.0?,¹?.0¹?,¹?]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-ium-2-olate
AlkaPlorer ID: AK322044
Synonym: None
IUPAC Name: 12-methoxy-2-oxido-8-aza-2-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
Structure
SMILES: COC1=CC=C2C(=C1)C1=NC=CC3=CC=[N+]([O-])C2=C13
InChI: InChI=1S/C15H10N2O2/c1-19-10-2-3-11-12(8-10)14-13-9(4-6-16-14)5-7-17(18)15(11)13/h2-8H,1H3
InChIKey: KTGCZVGZDIAKGB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ambavia gerrardii | Ambavia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 250.257
TPSA？: 49.06
MolLogP？: 2.5242000000000004
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 50300.0 | nM | 10.1021/np200093n |
| Homo sapiens | NCI-H460 | IC50 | 100000.0 | nM | 10.1021/np200093n |