2,8-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-1,3,5(16),6,8,10,12,14-octaen-2-ium-2-olate
AlkaPlorer ID: AK476091
Synonym: None
IUPAC Name: 2-oxido-8-aza-2-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
Structure
SMILES: [O-][N+]1=CC=C2C=CN=C3C4=CC=CC=C4C1=C32
InChI: InChI=1S/C14H8N2O/c17-16-8-6-9-5-7-15-13-10-3-1-2-4-11(10)14(16)12(9)13/h1-8H
InChIKey: OEFOMVQWNBXRQW-UHFFFAOYSA-N
Reference
Sesquiterpenes and alkaloids from Cleistopholis patens
PubChem CID: 460765
LOTUS: LTS0176029
SuperNatural Ⅲ: SN0263045
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cleistopholis patens | Cleistopholis | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 220.231
TPSA？: 39.83
MolLogP？: 2.515600000000001
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 3500.0 | nM | 10.1021/np200093n |
| Homo sapiens | NCI-H460 | IC50 | 1770.0 | nM | 10.1021/np200093n |