Phellodenol A
PubChem CID: 10910685
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Phellodenol A, 612086-85-8, 2H-1-Benzopyran-2-one, 7-hydroxy-6-(2-hydroxyethyl)-, 7-hydroxy-6-(2-hydroxyethyl)chromen-2-one, CHEMBL3935284 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 274.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-6-(2-hydroxyethyl)chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C11H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UNMQLUGEYMJJSH-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -1.351 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.606 |
| Compound Name | Phellodenol A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 206.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1269547333333332 |
| Inchi | InChI=1S/C11H10O4/c12-4-3-7-5-8-1-2-11(14)15-10(8)6-9(7)13/h1-2,5-6,12-13H,3-4H2 |
| Smiles | C1=CC(=O)OC2=CC(=C(C=C21)CCO)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phellodendron Chinense (Plant) Rel Props:Source_db:cmaup_ingredients