(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one
PubChem CID: 44550262
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| Compound Synonyms | CHEMBL570248 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 393.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C18H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WZTNDIFKUHRYGX-CMDGGOBGSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -5.582 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.597 |
| Compound Name | (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 298.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.403031963636363 |
| Inchi | InChI=1S/C18H18O4/c1-12-6-4-5-7-13(12)8-9-15(19)18-16(20)10-14(21-2)11-17(18)22-3/h4-11,20H,1-3H3/b9-8+ |
| Smiles | CC1=CC=CC=C1/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Methysticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all