5-Hydroxy-2,2,8-trimethylpyrano[3,2-g]chromen-6-one
PubChem CID: 13166810
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| Topological Polar Surface Area | 55.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 463.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2,2,8-trimethylpyrano[3,2-g]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C15H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NINCUTFERJHHFB-UHFFFAOYSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -3.332 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.755 |
| Compound Name | 5-Hydroxy-2,2,8-trimethylpyrano[3,2-g]chromen-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 258.269 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2482662842105263 |
| Inchi | InChI=1S/C15H14O4/c1-8-6-10(16)13-12(18-8)7-11-9(14(13)17)4-5-15(2,3)19-11/h4-7,17H,1-3H3 |
| Smiles | CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C=C3)(C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Sphenanthera (Plant) Rel Props:Source_db:cmaup_ingredients