5-Hydroxy-2-styryl-chromen-4-one
PubChem CID: 6477677
Connections displayed (default: 10).
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| Compound Synonyms | 2-Styrylchromone derivate, 1b, CHEMBL228675, (e)-5-hydroxy-2-styrylchromone, BDBM85577, 5-hydroxy-2-styryl-chromen-4-one, 5-Hydroxy-2-[(E)-2-phenylethenyl]-4H-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C17H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TVYPHWROTJAZCQ-MDZDMXLPSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.872 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.175 |
| Compound Name | 5-Hydroxy-2-styryl-chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 264.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.9734359999999995 |
| Inchi | InChI=1S/C17H12O3/c18-14-7-4-8-16-17(14)15(19)11-13(20-16)10-9-12-5-2-1-3-6-12/h1-11,18H/b10-9+ |
| Smiles | C1=CC=C(C=C1)/C=C/C2=CC(=O)C3=C(C=CC=C3O2)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bruguiera Cylindrica (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Heuchera Cylindrica (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Luffa Cylindrica (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Othonna Cylindrica (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Sansevieria Cylindrica (Plant) Rel Props:Reference: