5-Hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID: 122581168
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL18104387 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Is Pains | False |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AZTAQMQWFPLFOG-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 5-Hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3586608 |
| Inchi | InChI=1S/C16H14O4/c17-9-10-6-12(18)16-13(19)8-14(20-15(16)7-10)11-4-2-1-3-5-11/h1-7,14,17-18H,8-9H2 |
| Smiles | C1C(OC2=CC(=CC(=C2C1=O)O)CO)C3=CC=CC=C3 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Goniothalamus Griffithii (Plant) Rel Props:Source_db:cmaup_ingredients