(1S)-6,7-dihydroxy-1-[(4-hydroxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-olate
AlkaPlorer ID: AK463899
Synonym: None
IUPAC Name: (1R)-1-[(4-hydroxyphenyl)methyl]-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol
Structure
SMILES: C[N+]1([O-])CCC2=CC(O)=C(O)C=C2[C@H]1CC1=CC=C(O)C=C1
InChI: InChI=1S/C17H19NO4/c1-18(22)7-6-12-9-16(20)17(21)10-14(12)15(18)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,19-21H,6-8H2,1H3/t15-,18?/m1/s1
InChIKey: NBVMNDIZMDPDMC-NNJIEVJOSA-N
Reference
Benzylisoquinoline Alkaloids from <i>Gnetum </i><i>p</i><i>arvifolium</i>
PubChem CID: 163190341
LOTUS: LTS0086222
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gnetum parvifolium | Gnetum | Gnetaceae | Gnetales | Gnetopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 301.34200000000004
TPSA？: 83.75
MolLogP？: 2.5877000000000008
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|