Isopyruthaline
AlkaPlorer ID: AK107291
Synonym: '(+)-Isopyruthaline'
IUPAC Name: (6S)-4-methoxy-7-methyl-6-[[4-[2,3,4-trimethoxy-5-[[(1S)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline
Structure
SMILES: COC1=CC2=C(CCN(C)[C@H]2CC2=CC(OC3=CC=C(C[C@H]4C5=C(CCN4C)C4=C(OCO4)C(OC)=C5)C=C3)=C(OC)C(OC)=C2OC)C(OC)=C1OC
InChI: InChI=1S/C42H50N2O10/c1-43-17-15-28-30(22-34(46-4)41-38(28)52-23-53-41)31(43)18-24-10-12-26(13-11-24)54-35-20-25(36(47-5)42(51-9)40(35)50-8)19-32-29-21-33(45-3)39(49-7)37(48-6)27(29)14-16-44(32)2/h10-13,20-22,31-32H,14-19,23H2,1-9H3/t31-,32-/m0/s1
InChIKey: VLDVPDNIWBGIGV-ACHIHNKUSA-N
Reference
Alkaloids from Isopyrum thalictroides
PubChem CID: 10032952
LOTUS: LTS0209206
SuperNatural Ⅲ: SN0393233-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Isopyrum thalictroides | Isopyrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 742.8660000000003
TPSA？: 98.78000000000004
MolLogP？: 6.811200000000008
Number of H-Donors: 0
Number of H-Acceptors: 12
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|