(9R)-3-(4-{[(1S)-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: AK239060
Synonym: None
IUPAC Name: (6aR)-11-[4-[[(1S)-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=C(OC2=C3C(=CC=C2O)C[C@@H]2C4=C(C=C(OC)C(O)=C34)CCN2C)C=C1
InChI: InChI=1S/C37H40N2O6/c1-38-14-12-22-18-30(42-3)31(43-4)20-26(22)27(38)16-21-6-9-25(10-7-21)45-37-29(40)11-8-23-17-28-33-24(13-15-39(28)2)19-32(44-5)36(41)35(33)34(23)37/h6-11,18-20,27-28,40-41H,12-17H2,1-5H3/t27-,28+/m0/s1
InChIKey: FLWXJOMSSUAZEP-WUFINQPMSA-N
Reference
New Alkaloids From Berberis orthobotrys
PubChem CID: 156697
CAS: 76372-24-2
LOTUS: LTS0187238
SuperNatural Ⅲ: SN0089228-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis orthobotrys | 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 |
|---|