Pakistanine; O1-Me
AlkaPlorer ID: AK309197
Synonym: 1-O-Methylpakistanine
IUPAC Name: 9-[4-[(6,7-dimethoxy-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=C1OC)C(CC1=CC=C(OC3=CC4=C(C=C3O)C3=C(OC)C(OC)=CC5=C3C(C4)N(C)CC5)C=C1)N(C)CC2
InChI: InChI=1S/C38H42N2O6/c1-39-13-11-23-17-33(42-3)34(43-4)21-27(23)29(39)15-22-7-9-26(10-8-22)46-32-19-25-16-30-36-24(12-14-40(30)2)18-35(44-5)38(45-6)37(36)28(25)20-31(32)41/h7-10,17-21,29-30,41H,11-16H2,1-6H3
InChIKey: XMPDJTPBQGEPGK-UHFFFAOYSA-N
Reference
New Alkaloids From Berberis orthobotrys
PubChem CID: 4411439
LOTUS: LTS0019251
COCONUT: CNP0196374.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis calliobotrys | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Berberis orthobotrys | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 622.7620000000001
TPSA？: 72.86
MolLogP？: 6.742700000000008
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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