reticulinylium
AlkaPlorer ID: AK074067
Synonym: '3,4-Dihydro-7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)methyl-6-methoxy-2-(methyl-14C)-isoquinolinium', '1,2-dehydroreticuline', '1,2-Dehydroreticulinium', '1,2-Dehydroreticuline'
IUPAC Name: 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium-7-ol
Structure
SMILES: COC1=CC=C(CC2=[N+](C)CCC3=CC(OC)=C(O)C=C23)C=C1O
InChI: InChI=1S/C19H21NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11H,6-8H2,1-3H3,(H-,21,22)/p+1
InChIKey: ZALYXKJOOUDZCC-UHFFFAOYSA-O
Reference
Quaternary isoquinoline alkaloids from Xylopia parviflora
PubChem CID: 440930
CAS: 16202-17-8
LOTUS: LTS0238716
SuperNatural Ⅲ: SN0465176
COCONUT: CNP0178082
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Xylopia parviflora | Xylopia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 328.38800000000003
TPSA？: 61.93000000000001
MolLogP？: 2.3452000000000006
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|