Isopyruthaldine
AlkaPlorer ID: AK115428
Synonym: '', 'isopyruthaldine'
IUPAC Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[4-[[4,5-dimethoxy-2-[[(1S)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]methyl]-2,3-dimethoxyphenyl]acetaldehyde
Structure
SMILES: COC1=CC(CC2=CC=C(/C(C=O)=C3/NCCC4=CC(OC)=C(OC)C=C34)C(OC)=C2OC)=C(C[C@H]2C3=C(CCN2C)C(OC)=C(OC)C(OC)=C3)C=C1OC
InChI: InChI=1S/C44H52N2O10/c1-46-16-14-30-32(23-39(52-6)44(56-10)43(30)55-9)34(46)18-28-21-37(50-4)36(49-3)20-27(28)17-26-11-12-29(42(54-8)41(26)53-7)33(24-47)40-31-22-38(51-5)35(48-2)19-25(31)13-15-45-40/h11-12,19-24,34,45H,13-18H2,1-10H3/b40-33+/t34-/m0/s1
InChIKey: PMXIOUCPVGLKFT-IHQYELHMSA-N
Reference
Alkaloids from Isopyrum thalictroides L.
PubChem CID: 163021595
LOTUS: LTS0204788
SuperNatural Ⅲ: SN0289798-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Isopyrum thalictroides | Isopyrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 768.904
TPSA？: 115.41000000000004
MolLogP？: 6.339400000000008
Number of H-Donors: 1
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|