Khyberine; 7'-Me ether
AlkaPlorer ID: AK303581
Synonym: Kalashine
IUPAC Name: 11-[4-[(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)C2CC1=CC=C(OC2=C3C(=CC=C2O)CC2C4=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
InChIKey: FLWXJOMSSUAZEP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis calliobotrys | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| 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 |
|---|