1,6,7-Isoquinolinetriol; 3,4-Dihydro
AlkaPlorer ID: AK074146
Synonym: 3,4-Dihydro-1,6,7-isoquinolinetriol, 3,4-Dihydro-1,6,7-trihydroxyisoquinoline, 3,4-Dihydro-6,7-dihydroxy-1(2H)-isoquinolinone, Iseluxine, Pericampylinone A
IUPAC Name: 6,7-dihydroxy-3,4-dihydro-2H-isoquinolin-1-one
Structure
SMILES: OC1=NCCC2=C1C=C(O)C(O)=C2
InChI: InChI=1S/C9H9NO3/c11-7-3-5-1-2-10-9(13)6(5)4-8(7)12/h3-4,11-12H,1-2H2,(H,10,13)
InChIKey: CSYZCWLVFOWQRK-UHFFFAOYSA-N
Reference
The alkaloids and other constituents from the root and stem of Aristolochia elegans
PubChem CID: 11030394
CAS: 330847-76-2
LOTUS: LTS0247104
NPASS: NPC273963
COCONUT: CNP0419883
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aristolochia elegans | Aristolochia | Aristolochiaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Portulaca oleracea | Portulaca | Portulacaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 179.175
TPSA？: 73.05000000000001
MolLogP？: 0.9585
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Beta-2 adrenergic receptor | Activity | 0.5 | % | 10.1021/acs.jnatprod.7b00762 |
| Mus musculus | RAW264.7 | EC50 | 126400.0 | nM | 10.1021/acs.jnatprod.7b00762 |
| Mus musculus | RAW264.7 | Inhibition | nan | % | 10.1021/acs.jnatprod.7b00762 |