1,2-Dehydrosalsolinol
PubChem CID: 20844
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| Compound Synonyms | 1,2-Dehydrosalsolinol, DSAL, 4602-81-7, 1-methyl-3,4-dihydroisoquinoline-6,7-diol, 139080-83-4, 7-Hydroxy-1-methyl-3,4-dihydroisoquinolin-6(2H)-one, 6,7-Isoquinolinediol, 3,4-dihydro-1-methyl-, 3,4-dihydro-1-methyl-6,7-Isoquinolinediol, CHEMBL60503, SCHEMBL18932930, DTXSID20963486, CHEBI:178978, AKOS024370379, 1-methyl-3,4-di-hydro-6,7-isoquinolinediol, 1-Methyl-6,7-dihydroxy-3,4-dihydroisoquinolines |
|---|---|
| Topological Polar Surface Area | 52.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Description | 1,2-dehydrosalsolinol(1-methyl-6,7-dihydroxy-3,4-dihydroisoquinolines) is formed through the decarboxylation of salsolinol-1-carboxylic acid (1-methyl-6,7-dihydroxy-1,2,3,4- tetrahydroisoquinoline-1-carboxylic acid), a novel endogenous catecholic adduct of dopamine and pyruvic acid, examined in nuclei-free homogenates of rat liver, whole brain, and kidney, as well as in buffer only. Liquid chromatographic analysis of incubations for varying times (30 min to 5 h) showed that the tetrahydroisoquinoline substrate decarboxylated oxidatively, forming the DSAL (PMID: 3369867) It is involved in Tyrosine Metabolism [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 227.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-3,4-dihydroisoquinoline-6,7-diol |
| Prediction Hob | 1.0 |
| Class | Dihydroisoquinolines |
| Xlogp | 0.9 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C10H11NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DWHSGRLKLUGKOU-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -1.327 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 1.429 |
| Synonyms | 1-methyl-6,7-dihydroxy-3,4-dihydroisoquinolines, 3,4-dihydro-1-methyl-6,7-Isoquinolinediol, DSAL |
| Substituent Name | Dihydroisoquinoline, 1,2-diphenol, Benzenoid, Ketimine, Azacycle, Organic 1,3-dipolar compound, Propargyl-type 1,3-dipolar organic compound, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Imine, Aromatic heteropolycyclic compound |
| Compound Name | 1,2-Dehydrosalsolinol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 177.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 177.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 177.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8660970615384618 |
| Inchi | InChI=1S/C10H11NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-5,12-13H,2-3H2,1H3 |
| Smiles | CC1=NCCC2=CC(=C(C=C12)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients