5,8,9,10,11,12-Hexahydro-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine-9,10-diol; (9β,10β)-form, 6-Oxo, 9-O-(3,4-dimethoxybenzoyl)
AlkaPlorer ID: AK300311
Synonym: Ketoberberine benzoate B
IUPAC Name: None
Structure
SMILES: COC1=CC=C(C(=O)OC2C3=C(C=C4C5=CC6=C(C=C5CC(=O)N4C3)OCO6)CCC2O)C=C1OC
InChI: InChI=1S/C27H25NO8/c1-32-21-6-4-15(8-22(21)33-2)27(31)36-26-18-12-28-19(7-14(18)3-5-20(26)29)17-11-24-23(34-13-35-24)9-16(17)10-25(28)30/h4,6-9,11,20,26,29H,3,5,10,12-13H2,1-2H3
InChIKey: MOKYNYWMPQGAJK-UHFFFAOYSA-N
Reference
CAS: 1891024-39-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis aristata | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 491.4960000000004
TPSA？: 103.76000000000002
MolLogP？: 2.848600000000001
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|