6-hydroxy-7-methoxy-N-methyl-3,4-dihydroisoquinoline
PubChem CID: 2752173
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| Compound Synonyms | CHEMBL3235514, SCHEMBL8031775, BDBM50006639, AKOS004907228, 6-hydroxy-7-methoxy-N-methyl-3,4-dihydroisoquinoline |
|---|---|
| Topological Polar Surface Area | 32.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P12390, P12392, Q8R493 |
| Iupac Name | 7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C11H15NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VKAPHOQGGQKBAI-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -0.414 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.368 |
| Compound Name | 6-hydroxy-7-methoxy-N-methyl-3,4-dihydroisoquinoline |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.177568057142857 |
| Inchi | InChI=1S/C11H15NO2/c1-12-4-3-8-5-10(13)11(14-2)6-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3 |
| Smiles | CN1CCC2=CC(=C(C=C2C1)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Incisa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Berberis Oblonga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Chrysanthemum Myconis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Ligularia Nelumbifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Plectranthus Ernstii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Tephrosia Falciformis (Plant) Rel Props:Source_db:npass_chem_all