11-hydroxy-3,4-dimethoxy-8,10-dihydro-7H-6-azatetraphen-10-one
AlkaPlorer ID: AK108788
Synonym: None
IUPAC Name: 2-hydroxy-9,10-dimethoxy-6,7-dihydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3-one
Structure
SMILES: COC1=C(OC)C2=C[NH+]3CCC4=CC(=O)C(O)=CC4=C3C=C2C=C1
InChI: InChI=1S/C19H17NO4/c1-23-18-4-3-11-7-15-13-9-17(22)16(21)8-12(13)5-6-20(15)10-14(11)19(18)24-2/h3-4,7-10,22H,5-6H2,1-2H3/p+1
InChIKey: HVTCKKMWZDDWOY-UHFFFAOYSA-O
Reference
Chemical Constituents of from <I>Stephania dielsiana</I>
PubChem CID: 101404949
CAS: 25459-91-0
LOTUS: LTS0064156
NPASS: NPC44101
COCONUT: CNP0014271
Source
Properties Information
Molecule Weight: 324.35600000000005
TPSA？: 60.2
MolLogP？: -0.2703999999999982
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1016/j.bmcl.2005.11.045 |
| Homo sapiens | Cytochrome P450 1B1 | IC50 | 9900.0 | nM | 10.1016/j.ejmech.2017.04.042 |
| Homo sapiens | Sulfonylurea receptor 1, Kir6.2 | Activity | nan | None | 10.1016/j.bmcl.2005.11.045 |