5-Hydroxy-2-[2-(2-Hydroxyphenyl)Ethyl]Chromone
PubChem CID: 11822089
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| Compound Synonyms | 5-hydroxy-2-[2-(2-hydroxyphenyl)ethyl]chromone, 357637-15-1, 5-hydroxy-2-(2-(2-hydroxyphenyl)ethyl)chromone, 5-hydroxy-HPEC, CHEMBL479684, SCHEMBL16972779, HY-N11930, DA-49846, CS-0889982, Hydroxy-2-[2-(2-hydroxyphenyl)ethyl]chromone, G89093, 5-hydroxy-2-[2-(2-hydroxy-phenyl)ethyl]-chromone, 5-HYDROXY-2-(2'-HYDROXY-2-PHENYLETHYL)CHROMONE |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P28335, P41595, P28223 |
| Iupac Name | 5-hydroxy-2-[2-(2-hydroxyphenyl)ethyl]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C17H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VJJIYNCAKZLESG-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.159 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.073 |
| Compound Name | 5-Hydroxy-2-[2-(2-Hydroxyphenyl)Ethyl]Chromone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 282.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7326385238095234 |
| Inchi | InChI=1S/C17H14O4/c18-13-5-2-1-4-11(13)8-9-12-10-15(20)17-14(19)6-3-7-16(17)21-12/h1-7,10,18-19H,8-9H2 |
| Smiles | C1=CC=C(C(=C1)CCC2=CC(=O)C3=C(C=CC=C3O2)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Sanguisorba Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all