Turmeronol
PubChem CID: 101695906
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| Compound Synonyms | Turmeronol, CHEBI:176636, (6R)-6-(2-hydroxyphenyl)-2-methylhept-2-en-4-one |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 264.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6R)-6-(2-hydroxyphenyl)-2-methylhept-2-en-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C14H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QGTNPQGYEDNSGQ-LLVKDONJSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -2.31 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.664 |
| Compound Name | Turmeronol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 218.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 218.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3741351999999996 |
| Inchi | InChI=1S/C14H18O2/c1-10(2)8-12(15)9-11(3)13-6-4-5-7-14(13)16/h4-8,11,16H,9H2,1-3H3/t11-/m1/s1 |
| Smiles | C[C@H](CC(=O)C=C(C)C)C1=CC=CC=C1O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients