Anhalamine
PubChem CID: 69510
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| Compound Synonyms | Anhalamine, N-Demethylanhalidine, 643-60-7, 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol, UNII-J4WH1Y00ON, J4WH1Y00ON, ANHALAMINE [MI], 8-Isoquinolinol, 1,2,3,4-tetrahydro-6,7-dimethoxy-, DTXSID80214527, 1,2,3,4-tetrahydro-6,7-dimethoxy-8-isoquinolinol, 6,7-dimethoxy-8-hydroxy-1,2,3,4-tetrahydroisoquinoline, AC1L2C1E, SureCN675760, SCHEMBL675760, CHEBI:31543, DTXCID10137018, AKOS004902004, Q15410282 |
|---|---|
| Topological Polar Surface Area | 50.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C11H15NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DVQVXTPSJBCBJI-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -0.126 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.875 |
| Compound Name | Anhalamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 209.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 209.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 209.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8746189999999998 |
| Inchi | InChI=1S/C11H15NO3/c1-14-9-5-7-3-4-12-6-8(7)10(13)11(9)15-2/h5,12-13H,3-4,6H2,1-2H3 |
| Smiles | COC1=C(C(=C2CNCCC2=C1)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Maytenus Chiapensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all