(9R)-5-(4-{[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}phenoxy)-15-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-4,16-diol
AlkaPlorer ID: AK253681
Synonym: None
IUPAC Name: (6aR)-9-[4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol
Structure
SMILES: COC1=CC2=C(C=C1O)[C@H](CC1=CC=C(OC3=CC4=C(C=C3O)C3=C(O)C(OC)=CC5=C3[C@@H](C4)N(C)CC5)C=C1)N(C)CC2
InChI: InChI=1S/C36H38N2O6/c1-37-11-9-21-15-31(42-3)29(39)18-25(21)27(37)13-20-5-7-24(8-6-20)44-32-17-23-14-28-34-22(10-12-38(28)2)16-33(43-4)36(41)35(34)26(23)19-30(32)40/h5-8,15-19,27-28,39-41H,9-14H2,1-4H3/t27-,28+/m0/s1
InChIKey: BOIKIQGXBLVZFH-WUFINQPMSA-N
Reference
New Alkaloids From Berberis orthobotrys
PubChem CID: 157105
CAS: 77754-91-7
LOTUS: LTS0194304
SuperNatural Ⅲ: SN0031000-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis ilicifolia | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 594.7080000000002
TPSA？: 94.86
MolLogP？: 6.136700000000007
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|