Grisebachine (grisabine?)
AlkaPlorer ID: AK014824
Synonym: '(+)-Thaligrisine', 'Thaligrisine', '1-Epicuspidaline', 'Grisabine', '(-)-Grisabine'
IUPAC Name: (1S)-1-[[4-[5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Structure
SMILES: COC1=C(O)C=C2C(=C1)CCN(C)[C@@H]2CC1=CC=C(OC)C(OC2=CC=C(C[C@H]3C4=CC(O)=C(OC)C=C4CCN3C)C=C2)=C1
InChI: InChI=1S/C37H42N2O6/c1-38-14-12-25-19-35(43-4)32(40)21-28(25)30(38)16-23-6-9-27(10-7-23)45-37-18-24(8-11-34(37)42-3)17-31-29-22-33(41)36(44-5)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31+/m0/s1
InChIKey: ZKGBUDJODLZAHS-IOWSJCHKSA-N
Reference
Isoquinoline alkaloids from Berberis Vulgaris subsp. Australis
PubChem CID: 10031670
LOTUS: LTS0186935
SuperNatural Ⅲ: SN0472671-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum minus | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 610.7510000000001
TPSA？: 83.86000000000001
MolLogP？: 6.459300000000008
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|