Phyto4Health

Dauricine

Representations & DB's id

ChEBI: CHEBI:4331
ChEMBL: CHEMBL442717
PubChem: 73400
IUPAC: 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol
Standard InChI: InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1
Standard InChI Key: AQASRZOCERRGBL-ROJLCIKYSA-N
SMILES: COc1cc2c(cc1OC)CCN([C@@H]2Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1N(C)CCc2c1cc(OC)c(c2)OC)C

Molecular propeties

AlogP: 6.76
Hydrogen bonds acceptors: 8
Hydrogen bonds donors: 1
Rotatable bonds: 10
Number of rings: 6
Molecular Weight: 624.32
Topological polar surface area: 72.9
Number of aromatic rings: 4
Fsp3: 0.368
Number of carbons: 38

Plant sources

Part of plant Plant name Ref.
PlantPanax ginseng

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.