Grisebachine (grisabine?)
AlkaPlorer ID: AK014825
Synonym: '(+)-Thaligrisine', 'Thaligrisine', '1-Epicuspidaline', 'Grisabine', '(-)-Grisabine'
IUPAC Name: (1R)-1-[[4-[5-[[(1S)-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=CC2=C(C=C1O)[C@@H](CC1=CC=C(OC3=CC(C[C@H]4C5=CC(O)=C(OC)C=C5CCN4C)=CC=C3OC)C=C1)N(C)CC2
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+/m1/s1
InChIKey: ZKGBUDJODLZAHS-JSOSNVBQSA-N
Reference
Alcaloïdes de Gyrocarpus americanus
PubChem CID: 12305304
CAS: 62057-36-7
LOTUS: LTS0090593
SuperNatural Ⅲ: SN0472671-04
NPASS: NPC190031
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eriophorum vaginatum | Eriophorum | Cyperaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Epicoccum nigrum | Epicoccum | Didymellaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
| Cordia goetzei | Cordia | Cordiaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 610.7510000000001
TPSA？: 83.86
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 |
|---|