(E)-3-(4-methoxyphenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one
PubChem CID: 155547739
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| Compound Synonyms | CHEMBL4535330 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 373.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(4-methoxyphenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BYSMNFVBLGSCSW-XBXARRHUSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.349 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.321 |
| Compound Name | (E)-3-(4-methoxyphenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.758311742857142 |
| Inchi | InChI=1S/C16H14O5/c1-21-11-5-2-10(3-6-11)4-8-13(17)12-7-9-14(18)16(20)15(12)19/h2-9,18-20H,1H3/b8-4+ |
| Smiles | COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=C(C=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients