(E)-1-phenyl-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
PubChem CID: 14440596
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| Compound Synonyms | SCHEMBL2200343 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-phenyl-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JEPSZTLDPWGHPQ-VOTSOKGWSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.921 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.754 |
| Compound Name | (E)-1-phenyl-3-(2,4,6-trihydroxyphenyl)prop-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 256.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.3487618210526313 |
| Inchi | InChI=1S/C15H12O4/c16-11-8-14(18)12(15(19)9-11)6-7-13(17)10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+ |
| Smiles | C1=CC=C(C=C1)C(=O)/C=C/C2=C(C=C(C=C2O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limonia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dicranopteris Pedata (Plant) Rel Props:Source_db:cmaup_ingredients