Pakistanine; O6'-De-Me, O1-Me
AlkaPlorer ID: AK309195
Synonym: Waziristanine, 1-O-Methylporveniramine
IUPAC Name: 9-[4-[(6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-ol
Structure
SMILES: COC1=CC2=C(C=C1O)CCN(C)C2CC1=CC=C(OC2=CC3=C(C=C2O)C2=C(OC)C(OC)=CC4=C2C(C3)N(C)CC4)C=C1
InChI: InChI=1S/C37H40N2O6/c1-38-12-10-22-16-30(40)32(42-3)20-26(22)28(38)14-21-6-8-25(9-7-21)45-33-18-24-15-29-35-23(11-13-39(29)2)17-34(43-4)37(44-5)36(35)27(24)19-31(33)41/h6-9,16-20,28-29,40-41H,10-15H2,1-5H3
InChIKey: XVIJZZUKMXFAJB-UHFFFAOYSA-N
Reference
An aporphine-benzylisoquinoline alkaloid from Berberis waziristanica
PubChem CID: 162967167
CAS: 96497-83-5
LOTUS: LTS0253098
COCONUT: CNP0238605.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 608.7350000000001
TPSA？: 83.86000000000001
MolLogP？: 6.439700000000008
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|