(1S)-1-{[4-(2-hydroxy-5-{[(1R)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)phenyl]methyl}-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
AlkaPlorer ID: AK175971
Synonym: None
IUPAC Name: (1S)-1-[[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Structure
SMILES: COC1=CC2=C(C=C1O)[C@@H](CC1=CC=C(O)C(OC3=CC=C(C[C@H]4C5=CC(O)=C(OC)C=C5CCN4C)C=C3)=C1)NCC2
InChI: InChI=1S/C35H38N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-21-4-7-25(8-5-21)43-35-16-22(6-9-30(35)38)14-28-26-19-31(39)33(41-2)17-23(26)10-12-36-28/h4-9,16-20,28-29,36,38-40H,10-15H2,1-3H3/t28-,29+/m1/s1
InChIKey: VHJATXSSUHGHHL-WDYNHAJCSA-N
Reference
Bisbenzylisoquinoline alkaloids in Berberis cell cultures
PubChem CID: 13895819
LOTUS: LTS0138943
SuperNatural Ⅲ: SN0390379-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis stolonifera | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 582.6970000000002
TPSA？: 103.65
MolLogP？: 5.814100000000006
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|