Bargustanine
AlkaPlorer ID: AK026911
Synonym: '', 'Bargustanine'
IUPAC Name: 4-[(R)-hydroxy-[(1S)-7-hydroxy-6-methoxy-8-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzene-1,2-diol
Structure
SMILES: COC1=CC2=C(C=C1OC1=C(O)C(OC)=CC3=C1[C@@H]([C@H](O)C1=CC=C(O)C(O)=C1)N(C)CC3)CN(C)CC2
InChI: InChI=1S/C29H34N2O7/c1-30-9-7-16-12-22(36-3)23(14-19(16)15-30)38-29-25-17(13-24(37-4)28(29)35)8-10-31(2)26(25)27(34)18-5-6-20(32)21(33)11-18/h5-6,11-14,26-27,32-35H,7-10,15H2,1-4H3/t26-,27+/m0/s1
InChIKey: AYINLWLMPMZNKE-RRPNLBNLSA-N
Reference
Berberis alkaloids. XV. Structure of bargustanine
PubChem CID: 162901580
LOTUS: LTS0250600
SuperNatural Ⅲ: SN0018673-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis vulgaris | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 522.5980000000003
TPSA？: 115.09
MolLogP？: 3.863400000000003
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|