(-)-Salsoline
PubChem CID: 442356
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| Compound Synonyms | (-)-Salsoline, 89-31-6, (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol, (S)-salsoline, Salsoline, (-)-, 7-O-methylsalsolinol, salsoline (-)-form, SALSOLINE (-)-, CHEBI:112, T246JT0V8K, 6-Isoquinolinol, 1,2,3,4-tetrahydro-7-methoxy-1-methyl-, (1S)-, SALSOLINE (-)-FORM [MI], 6-Isoquinolinol, 1,2,3,4-tetrahydro-7-methoxy-1-methyl-, (S)-, CHEMBL510708, UNII-T246JT0V8K, methylsalsolinol, EINECS 201-897-3, (S)-7-METHOXY-1-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL, CHEMBL1187592, SCHEMBL20485120, (1S)-1,2,3,4-tetrahydro-7-methoxy-1-methyl-6-Isoquinolinol, AAA08931, TNP00025, BDBM50367918, STK093901, AKOS005395328, NCGC00017168-01, DB-078382, C09640, Q27105241, (S)-7-Methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol, 201-897-3 |
|---|---|
| Topological Polar Surface Area | 41.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Description | (-)-Salsoline is a compound that crystallizes from alcohol solution, melts at 221 oC, soluble in hot alcohol and chloroform, used in medicine as an antihypertensive agent. Salsoline as well as salsolinol were found in male alcoholic inpatients's urine and lumbar cerebrospinal fluid when patients were still intoxicated after a heavy alcohol debauch and after they had been inpatients and off alcohol for one week.There was a wide interindividual variation and no statistical significant difference in the levels between the first and second sampling in CSF or urine.[PMID: 6935920] [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P15917, Q99714, P10635, O42275, P81908 |
| Iupac Name | (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol |
| Prediction Hob | 1.0 |
| Class | Tetrahydroisoquinolines |
| Target Id | NPT149, NPT110 |
| Xlogp | 1.3 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C11H15NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YTPRLBGPGZHUPD-ZETCQYMHSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -0.349 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 1.14 |
| Synonyms | (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol, Salsoline, (+)-Salsoline, (S)-Salsoline, 1(R),2(N)-Dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline, 7-O-Methylsalsolinol, D-Salosine, N-Methyl-(R)-salsolinol, Methylsalsolinol, Salsoline (-)-form, Salsoline hydrochloride, Salsoline hydrochloride, (R)-isomer, Salsoline hydrochloride, (S)-isomer, Salsoline hydrochloride, hydrate (4:4:1), (1S)-7-Methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol |
| Compound Name | (-)-Salsoline |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 193.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 193.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 193.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -2.133468057142857 |
| Inchi | InChI=1S/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3/t7-/m0/s1 |
| Smiles | C[C@H]1C2=CC(=C(C=C2CCN1)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Tetrahydroisoquinolines |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Collina (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Centaurea Collina (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Flindersia Collina (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Salsola Collina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Salsola Imbricata (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Salsola Kali (Plant) Rel Props:Reference: