CID 10355323
PubChem CID: 10355323
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL5191516, BDBM50591779, (3S,4R)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 416.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S,4R)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C14H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SLXYBYCLCBXBFK-OLZOCXBDSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.332 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.167 |
| Compound Name | CID 10355323 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 262.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.294791884210526 |
| Inchi | InChI=1S/C14H14O5/c1-14(2)13(17)12(16)8-5-7-3-4-11(15)18-9(7)6-10(8)19-14/h3-6,12-13,16-17H,1-2H3/t12-,13+/m1/s1 |
| Smiles | CC1([C@H]([C@@H](C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Decursiva (Plant) Rel Props:Source_db:cmaup_ingredients