1,2-Dihydroxyaporphine; (±)-form, Di-Me ether, N-de-Me
AlkaPlorer ID: AK296008
Synonym: None
IUPAC Name: 1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Structure
SMILES: COC1=CC2=C3C(=C1OC)C1=CC=CC=C1CC3NCC2
InChI: InChI=1S/C18H19NO2/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2/h3-6,10,14,19H,7-9H2,1-2H3
InChIKey: QQKAHDMMPBQDAC-UHFFFAOYSA-N
Reference
PubChem CID: 624491
CAS: 4846-19-9
LOTUS: LTS0034266
NPASS: NPC126519
COCONUT: CNP0111644.2
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 281.3550000000001
TPSA？: 30.49
MolLogP？: 3.1137000000000006
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Protein tyrosine phosphatase receptor type C-associated protein | IC50 | 5300.0 | nM | 10.1016/0960-894X(95)00250-W |
| Mus musculus | RAW264.7 | IC50 | 10000.0 | nM | 10.1016/j.bmcl.2017.04.072 |
| None | NON-PROTEIN TARGET | Activity | 0.27 | None | 10.1021/np100013r |