Pakistanine; O7'-De-Me
AlkaPlorer ID: AK309194
Synonym: Chitraline
IUPAC Name: 9-[4-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol
Structure
SMILES: COC1=CC2=C(C=C1O)C(CC1=CC=C(OC3=CC4=C(C=C3O)C3=C(O)C(OC)=CC5=C3C(C4)N(C)CC5)C=C1)N(C)CC2
InChI: InChI=1S/C36H38N2O6/c1-37-11-9-21-15-31(42-3)29(39)18-25(21)27(37)13-20-5-7-24(8-6-20)44-32-17-23-14-28-34-22(10-12-38(28)2)16-33(43-4)36(41)35(34)26(23)19-30(32)40/h5-8,15-19,27-28,39-41H,9-14H2,1-4H3
InChIKey: BOIKIQGXBLVZFH-UHFFFAOYSA-N
Reference
New Alkaloids From Berberis orthobotrys
PubChem CID: 53462640
LOTUS: LTS0103287
COCONUT: CNP0208305.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis calliobotrys | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Berberis empetrifolia | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 594.7080000000002
TPSA？: 94.86
MolLogP？: 6.136700000000007
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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