Dauricine
AlkaPlorer ID: AK005043
Synonym: None
IUPAC Name: 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
Structure
SMILES: COC1=CC2=C(C=C1OC)[C@@H](CC1=CC=C(OC3=CC(C[C@@H]4C5=CC(OC)=C(OC)C=C5CCN4C)=CC=C3O)C=C1)N(C)CC2
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
InChIKey: AQASRZOCERRGBL-ROJLCIKYSA-N
Reference
Dauricine production in cultured roots of Menispermum dauricum
PubChem CID: 73400
CAS: 524-17-4
LOTUS: LTS0037463
SuperNatural Ⅲ: SN0012285-03
NPASS: NPC268503
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nelumbo nucifera | Nelumbo | Nelumbonaceae | Proteales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 624.7780000000002
TPSA？: 72.86
MolLogP？: 6.7623000000000095
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | Activity | nan | None | 10.1016/j.ejmech.2020.112810 |
| Homo sapiens | HERG | IC50 | 16000.0 | nM | 10.1016/j.bmcl.2004.06.070 |
| Homo sapiens | P-glycoprotein 1 | Inhibition | nan | % | 10.1016/j.bmc.2020.115553 |
| Rattus norvegicus | Rattus norvegicus | LD50 | 205.0 | mg.kg-1 | 10.1021/np50075a001 |
| None | Unchecked | Inhibition | 50.8 | % | 10.1021/np50075a001 |