Isothalicrine
AlkaPlorer ID: AK108516
Synonym: '(+)-Isothalicrine'
IUPAC Name: 2-methoxy-5-[[(1S)-6-methoxy-2-methyl-7-[2,3,4-trimethoxy-5-[[(1S)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
Structure
SMILES: COC1=CC=C(C[C@H]2C3=CC(OC4=CC(C[C@H]5C6=CC(OC)=C(OC)C(OC)=C6CCN5C)=C(OC)C(OC)=C4OC)=C(OC)C=C3CCN2C)C=C1O
InChI: InChI=1S/C42H52N2O10/c1-43-15-13-25-20-34(47-4)35(22-28(25)30(43)17-24-11-12-33(46-3)32(45)18-24)54-37-21-26(38(49-6)42(53-10)41(37)52-9)19-31-29-23-36(48-5)40(51-8)39(50-7)27(29)14-16-44(31)2/h11-12,18,20-23,30-31,45H,13-17,19H2,1-10H3/t30-,31-/m0/s1
InChIKey: IJVBJQZGTABEMP-CONSDPRKSA-N
Reference
Alkaloids from Isopyrum thalictroides*1
PubChem CID: 15907629
LOTUS: LTS0126378
SuperNatural Ⅲ: SN0147539-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Isopyrum thalictroides | Isopyrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 744.8820000000001
TPSA？: 109.78000000000002
MolLogP？: 6.796700000000009
Number of H-Donors: 1
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|