6,7-Dihydroxy-1-methylisoquinoline; Di-Me ether
AlkaPlorer ID: AK009209
Synonym: '', 'Nigellimine'
IUPAC Name: 6,7-dimethoxy-1-methylisoquinoline
Structure
SMILES: COC1=CC2=CC=NC(C)=C2C=C1OC
InChI: InChI=1S/C12H13NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h4-7H,1-3H3
InChIKey: VBMZFACBWDZUSM-UHFFFAOYSA-N
Reference
Nigellimine: A New Isoquinoline Alkaloid from the Seeds of Nigella sativa
PubChem CID: 20725
CAS: 4594-02-9
LOTUS: LTS0232783
SuperNatural Ⅲ: SN0385860
COCONUT: CNP0314596
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachycereus weberi | Pachycereus | Cactaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 203.241
TPSA？: 31.35
MolLogP？: 2.5604200000000006
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|