(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
PubChem CID: 118725711
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| Compound Synonyms | CHEMBL3393845, SCHEMBL25221559 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 395.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PTQXQIDDMDYWCX-VOTSOKGWSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.127 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.087 |
| Compound Name | (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.9616583636363636 |
| Inchi | InChI=1S/C17H16O5/c1-21-13-9-15(20)17(16(10-13)22-2)14(19)7-6-11-4-3-5-12(18)8-11/h3-10,18,20H,1-2H3/b7-6+ |
| Smiles | COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC(=CC=C2)O)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