Bernumine
AlkaPlorer ID: AK093260
Synonym: '(+)-Bernumine'
IUPAC Name: (1S)-2-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol
Structure
SMILES: COC1=CC2=C(C=C1O)CCN(CC1=CC=C3OCOC3=C1)[C@H]2C
InChI: InChI=1S/C19H21NO4/c1-12-15-9-18(22-2)16(21)8-14(15)5-6-20(12)10-13-3-4-17-19(7-13)24-11-23-17/h3-4,7-9,12,21H,5-6,10-11H2,1-2H3/t12-/m0/s1
InChIKey: SRUJDGSAEXMGPS-LBPRGKRZSA-N
Reference
Berberis alkaloids. XXIV. Structure of bernumine
PubChem CID: 163032540
LOTUS: LTS0013090
SuperNatural Ⅲ: SN0353624-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis nummularia | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 327.38000000000005
TPSA？: 51.16000000000001
MolLogP？: 3.248800000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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