Curacautine; (S)-form, α'-Carboxylic acid, Me ester
AlkaPlorer ID: AK293346
Synonym: Talcamine
IUPAC Name: methyl 4-[3-[[6,7-dimethoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,6-dimethoxyphenoxy]benzoate
Structure
SMILES: COC(=O)C1=CC=C(OC2=C(OC)C=CC(CC3C4=C(C=C(OC)C(OC)=C4OC4=CC5=C(C=C4OC)CCN(C)C5=O)CCN3C)=C2OC)C=C1
InChI: InChI=1S/C40H44N2O10/c1-41-17-16-25-21-33(47-5)36(49-7)38(52-32-22-28-24(20-31(32)46-4)15-18-42(2)39(28)43)34(25)29(41)19-26-11-14-30(45-3)37(35(26)48-6)51-27-12-9-23(10-13-27)40(44)50-8/h9-14,20-22,29H,15-19H2,1-8H3
InChIKey: RORFESPGBUIBMY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis buxifolia | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 712.7959999999999
TPSA？: 114.46
MolLogP？: 6.500600000000008
Number of H-Donors: 0
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|