(9S)-5-(3-{[(1R)-6,7-dimethoxy-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: AK268288
Synonym: None
IUPAC Name: (6aS)-9-[3-[[(1R)-6,7-dimethoxy-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=C(OC)C=C2C(=C1)CCN(C)[C@@H]2CC1=CC(OC2=C(O)C=C3C(=C2)C[C@H]2C4=C(C=C(OC)C(O)=C34)CCN2C)=CC=C1
InChI: InChI=1S/C37H40N2O6/c1-38-11-9-22-16-32(42-3)33(43-4)20-26(22)28(38)14-21-7-6-8-25(13-21)45-31-18-24-15-29-35-23(10-12-39(29)2)17-34(44-5)37(41)36(35)27(24)19-30(31)40/h6-8,13,16-20,28-29,40-41H,9-12,14-15H2,1-5H3/t28-,29+/m1/s1
InChIKey: JAOSHGWBZGBZIH-WDYNHAJCSA-N
Reference
A REVIEW ON THE CHEMICAL AND PHARMACOLOGICAL ASPECTS OF GENUS<i>BERBERIS</i>
PubChem CID: 163048204
LOTUS: LTS0178312
SuperNatural Ⅲ: SN0160290-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis vulgaris | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 608.7350000000001
TPSA？: 83.86
MolLogP？: 6.439700000000009
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|