Phellodenol B
PubChem CID: 11745794
Connections displayed (default: 10).
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| Compound Synonyms | Phellodenol B, 612086-87-0, 2H-1-Benzopyran-2-one, 7-hydroxy-8-(2-hydroxyethyl)-, 7-hydroxy-8-(2-hydroxyethyl)chromen-2-one |
|---|---|
| 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-8-(2-hydroxyethyl)chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C11H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SWKJRSKBKHLXMA-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -1.59 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.739 |
| Compound Name | Phellodenol B |
| 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/c12-6-5-8-9(13)3-1-7-2-4-10(14)15-11(7)8/h1-4,12-13H,5-6H2 |
| Smiles | C1=CC(=C(C2=C1C=CC(=O)O2)CCO)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phellodendron Amurense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Phellodendron Chinense (Plant) Rel Props:Source_db:cmaup_ingredients