3-hydroxy-1,6-diazatetracyclo[7.6.1.0?,¹?.0¹?,¹?]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
AlkaPlorer ID: AK006171
Synonym: None
IUPAC Name: 3-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Structure
SMILES: O=C1C(O)=CC2=NC=CC3=C2N1C1=CC=CC=C31
InChI: InChI=1S/C14H8N2O2/c17-12-7-10-13-9(5-6-15-10)8-3-1-2-4-11(8)16(13)14(12)18/h1-7,17H
InChIKey: HOTCTNQHGRFRLK-UHFFFAOYSA-N
Reference
Occurrence of Indole Alkaloids in Ailanthus altissima Cell Cultures
PubChem CID: 135735549
LOTUS: LTS0019113
COCONUT: CNP0289875
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Simarouba amara | Simarouba | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 236.23
TPSA？: 54.6
MolLogP？: 2.1442999999999994
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Protein-tyrosine phosphatase 1B | Inhibition | 84.7 | % | 10.1016/j.bmcl.2015.03.014 |