Pakistanine; N2'-De-Me
AlkaPlorer ID: AK309192
Synonym: 2'-Norpakistanine
IUPAC Name: 9-[4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol
Structure
SMILES: COC1=C(OC)C=C2C(=C1)CCNC2CC1=CC=C(OC2=C(O)C=C3C(=C2)CC2C4=C(C=C(OC)C(O)=C34)CCN2C)C=C1
InChI: InChI=1S/C36H38N2O6/c1-38-12-10-22-16-33(43-4)36(40)35-26-18-29(39)30(17-23(26)14-28(38)34(22)35)44-24-7-5-20(6-8-24)13-27-25-19-32(42-3)31(41-2)15-21(25)9-11-37-27/h5-8,15-19,27-28,37,39-40H,9-14H2,1-4H3
InChIKey: MZEOGFQTGVLLHY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis valdiviana | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 594.7080000000002
TPSA？: 92.65
MolLogP？: 6.097500000000008
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|