Bernumicine
AlkaPlorer ID: AK095238
Synonym: '(+)-Bernumicine', '(R)-Bernumicine'
IUPAC Name: (1R)-2-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol
Structure
SMILES: COC1=C(O)C=C2CCN(CC3=CC=C(OC)C(OC)=C3)[C@H](C)C2=C1
InChI: InChI=1S/C20H25NO4/c1-13-16-11-19(24-3)17(22)10-15(16)7-8-21(13)12-14-5-6-18(23-2)20(9-14)25-4/h5-6,9-11,13,22H,7-8,12H2,1-4H3/t13-/m1/s1
InChIKey: DWWMSOMIMCXELY-CYBMUJFWSA-N
Reference
Berberis alkaloids. XXV. Structures of bernumidine and bernumicine
PubChem CID: 11256403
LOTUS: LTS0123289
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis nummularia | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 343.42300000000006
TPSA？: 51.16000000000001
MolLogP？: 3.5373000000000028
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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