5-acetonyl-7-hydroxy-2-[(E)-prop-1-enyl]chromen-4-one
PubChem CID: 71451578
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| Compound Synonyms | siamchromones E, Siamchromone E, CHEMBL2164962, 5-acetonyl-7-hydroxy-2-[(E)-prop-1-enyl]chromen-4-one |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 435.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-5-(2-oxopropyl)-2-[(E)-prop-1-enyl]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C15H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BJRWVWBCAXJUDU-ONEGZZNKSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.433 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.037 |
| Compound Name | 5-acetonyl-7-hydroxy-2-[(E)-prop-1-enyl]chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 258.269 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.287966284210526 |
| Inchi | InChI=1S/C15H14O4/c1-3-4-12-8-13(18)15-10(5-9(2)16)6-11(17)7-14(15)19-12/h3-4,6-8,17H,5H2,1-2H3/b4-3+ |
| Smiles | C/C=C/C1=CC(=O)C2=C(C=C(C=C2O1)O)CC(=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Senna Siamea (Plant) Rel Props:Source_db:cmaup_ingredients