Canadaline; (S)-form, 13-Oxo, 8-carboxylic acid
AlkaPlorer ID: AK291518
Synonym: Berbervirine
IUPAC Name: 2,3-dimethoxy-6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-5-carbonyl)benzoic acid
Structure
SMILES: COC1=CC=C(C(=O)C2C3=CC4=C(C=C3CCN2C)OCO4)C(C(=O)O)=C1OC
InChI: InChI=1S/C21H21NO7/c1-22-7-6-11-8-15-16(29-10-28-15)9-13(11)18(22)19(23)12-4-5-14(26-2)20(27-3)17(12)21(24)25/h4-5,8-9,18H,6-7,10H2,1-3H3,(H,24,25)
InChIKey: GJRNGHJRNCNOTD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis virgetorum | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 399.39900000000017
TPSA？: 94.53
MolLogP？: 2.5426
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|