Isopythaline
AlkaPlorer ID: AK118621
Synonym: ''
IUPAC Name: (6R)-6-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxyphenoxy]phenyl]methyl]-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline
Structure
SMILES: COC1=CC2=C(C=C1OC)[C@H](CC1=CC(OC)=C(OC)C(OC3=CC=C(C[C@@H]4C5=C(CCN4C)C4=C(OCO4)C(OC)=C5)C=C3)=C1)N(C)CC2
InChI: InChI=1S/C40H46N2O8/c1-41-14-12-26-20-33(43-3)34(44-4)21-29(26)31(41)17-25-18-35(45-5)39(47-7)37(19-25)50-27-10-8-24(9-11-27)16-32-30-22-36(46-6)40-38(48-23-49-40)28(30)13-15-42(32)2/h8-11,18-22,31-32H,12-17,23H2,1-7H3/t31-,32+/m0/s1
InChIKey: YJLUBKAIDVYKEO-AJQTZOPKSA-N
Reference
Alkaloids from Isopyrum thalictroides
PubChem CID: 162982586
LOTUS: LTS0190993
SuperNatural Ⅲ: SN0452103-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Isopyrum thalictroides | Isopyrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 682.8140000000001
TPSA？: 80.32000000000001
MolLogP？: 6.794000000000008
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|