(1S)-6,7-dihydroxy-1-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium
AlkaPlorer ID: AK323703
Synonym: None
IUPAC Name: 1-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol
Structure
SMILES: C[N+]1(C)CCC2=CC(O)=C(O)C=C2C1CC1=CC=C(O)C=C1
InChI: InChI=1S/C18H21NO3/c1-19(2)8-7-13-10-17(21)18(22)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16H,7-9H2,1-2H3,(H2-,20,21,22)/p+1
InChIKey: GZCZUQLKNREJGE-UHFFFAOYSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 300.378
TPSA？: 60.69
MolLogP？: 2.7197000000000022
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Zone of skin | Activity | 8.7 | % | 10.1021/acs.jnatprod.9b01083 |
| None | NON-PROTEIN TARGET | Activity | 61.5 | % | 10.1021/acs.jnatprod.9b01083 |