Pallidiflorin
PubChem CID: 5320382
Connections displayed (default: 10).
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| Compound Synonyms | Pallidiflorin, 5-Hydroxy-4'-methoxyisoflavone, 133086-79-0, 5-hydroxy-3-(4-methoxyphenyl)chromen-4-one, DTXSID80157945, 4H-1-Benzopyran-4-one, 5-hydroxy-3-(4-methoxyphenyl)-, 5-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one, SCHEMBL571121, DTXCID2080436, LMPK12050154 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 395.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-3-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C16H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YCUNGEJJOMKCGZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.578 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.87 |
| Compound Name | Pallidiflorin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 268.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5760616 |
| Inchi | InChI=1S/C16H12O4/c1-19-11-7-5-10(6-8-11)12-9-20-14-4-2-3-13(17)15(14)16(12)18/h2-9,17H,1H3 |
| Smiles | COC1=CC=C(C=C1)C2=COC3=CC=CC(=C3C2=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Pallidiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients