Desacetylripariochromene B
PubChem CID: 14282640
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| Compound Synonyms | Desacetylripariochromene B, 69790-24-5, AKOS040763427 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-1-(7-hydroxy-2,2-dimethylchromen-6-yl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C13H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NJXVOIXWGADHKP-UHFFFAOYSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -4.014 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.678 |
| Compound Name | Desacetylripariochromene B |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 234.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 234.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7256326705882348 |
| Inchi | InChI=1S/C13H14O4/c1-13(2)4-3-8-5-9(11(16)7-14)10(15)6-12(8)17-13/h3-6,14-15H,7H2,1-2H3 |
| Smiles | CC1(C=CC2=CC(=C(C=C2O1)O)C(=O)CO)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pyrrosia Davidii (Plant) Rel Props:Source_db:cmaup_ingredients