Thalicarpine; O4''-De-Me
AlkaPlorer ID: AK315755
Synonym: Thalidoxine
IUPAC Name: 4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxy-5-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenol
Structure
SMILES: COC1=CC(CC2C3=CC(OC)=C(OC)C=C3CCN2C)=C(OC2=CC3=C(C=C2OC)C2=C(OC)C(OC)=CC4=C2C(C3)N(C)CC4)C=C1O
InChI: InChI=1S/C40H46N2O8/c1-41-11-9-22-15-33(45-4)34(46-5)19-26(22)28(41)14-25-18-32(44-3)30(43)21-31(25)50-36-17-24-13-29-38-23(10-12-42(29)2)16-37(48-7)40(49-8)39(38)27(24)20-35(36)47-6/h15-21,28-29,43H,9-14H2,1-8H3
InChIKey: INVZSVMGROLZMI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum dioicum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 682.8140000000001
TPSA？: 91.32
MolLogP？: 6.759900000000009
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|