Uvangoletin
PubChem CID: 6483649
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| Compound Synonyms | Uvangoletin, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylpropan-1-one, 76444-56-9, SCHEMBL1938569, CHEMBL4641401, CHEBI:180160, LMPK12120512, AM-573/21093007, 1-(2,4-dihydroxy-6-methoxy-phenyl)-3-phenyl-propan-1-one, 1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-1-propanone, 1-Propanone, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, Uvangoletin (2'4'-Dihydroxy-6'-methoxy-dihydro-chalcone) |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylpropan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C16H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FYPYWIYWMVCNCS-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.436 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.161 |
| Compound Name | Uvangoletin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 272.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7275599999999995 |
| Inchi | InChI=1S/C16H16O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-6,9-10,17,19H,7-8H2,1H3 |
| Smiles | COC1=CC(=CC(=C1C(=O)CCC2=CC=CC=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anabasis Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Swertia Cincta (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Syzygium Samarangense (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Uvaria Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients