6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-, (R)-
PubChem CID: 7157331
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| Compound Synonyms | 53622-83-6, Salsolinol, (R)-, (R)-Salsolinol, 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-, (R)-, VZS48DSV42, UNII-VZS48DSV42, (R)-1,2,3,4-Tetrahydro-1-methyl-6,7-isoquinolinediol, (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol, (+)-Salsolinol, CHEMBL544715, (+)-(R)-Salsolinol, CHEMBL1193327, SCHEMBL10029584, DTXSID30201866, 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-, (1R)-, BDBM50014640, DB-310247, C22907, 1R-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol, (1R)-1,2,3,4-Tetrahydro-1-methylisoquinoline-6,7-diol, (r)-1,2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline, 1-Methyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol, hydrobromide((+)-(R)-Salsolinol) |
|---|---|
| Topological Polar Surface Area | 52.5 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 186.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P21397 |
| Iupac Name | (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT261 |
| Xlogp | 1.0 |
| Molecular Formula | C10H13NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IBRKLUSXDYATLG-ZCFIWIBFSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.674 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.832 |
| Compound Name | 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-, (R)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 179.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 179.095 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 179.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9352962615384617 |
| Inchi | InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m1/s1 |
| Smiles | C[C@@H]1C2=CC(=C(C=C2CCN1)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Carmichaelii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aconitum Ciliare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aconitum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aconitum Kusnezoffii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aconitum Triphyllum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all