2-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
AlkaPlorer ID: AK048306
Synonym: 'SMR000387109', 'MLS001048918'
IUPAC Name: (1R)-2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
Structure
SMILES: COC1=CC2=C(C=C1OC)[C@@H](C)N(CC1=CC=C3OCOC3=C1)CC2
InChI: InChI=1S/C20H23NO4/c1-13-16-10-19(23-3)18(22-2)9-15(16)6-7-21(13)11-14-4-5-17-20(8-14)25-12-24-17/h4-5,8-10,13H,6-7,11-12H2,1-3H3/t13-/m1/s1
InChIKey: BSDPQEFENGLTDD-CYBMUJFWSA-N
Reference
Berberis alkaloids. XXV. Structures of bernumidine and bernumicine
PubChem CID: 7097507
LOTUS: LTS0149340
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis nummularia | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.4070000000001
TPSA？: 40.16
MolLogP？: 3.5518000000000027
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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