Daurinoline
AlkaPlorer ID: AK092754
Synonym: ''
IUPAC Name: (1R)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
Structure
SMILES: COC1=CC2=C(C=C1O)CCN(C)[C@@H]2CC1=CC=C(OC2=CC(C[C@@H]3C4=CC(OC)=C(OC)C=C4CCN3C)=CC=C2O)C=C1
InChI: InChI=1S/C37H42N2O6/c1-38-14-12-25-19-33(41)34(42-3)21-28(25)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-29-22-37(44-5)36(43-4)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1
InChIKey: APIHNXDZCYDPTF-FIRIVFDPSA-N
Reference
AN ALKALOID FROM <i>MENISPERMUM CANADENSE</i> L.
PubChem CID: 12309092
CAS: 2831-75-6
LOTUS: LTS0101598
SuperNatural Ⅲ: SN0011743-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Menispermum canadense | Menispermum | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 610.7510000000004
TPSA？: 83.86000000000001
MolLogP？: 6.459300000000008
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|