5,9,10-Trihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one
PubChem CID: 155552807
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| Compound Synonyms | CHEMBL4545361 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,9,10-trihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C18H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KUIMTOYMMVZRDV-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -3.859 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.482 |
| Compound Name | 5,9,10-Trihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 328.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.808350666666667 |
| Inchi | InChI=1S/C18H16O6/c1-18(2)6-5-8-11(24-18)7-12-13(14(8)20)15(21)9-3-4-10(19)16(22)17(9)23-12/h3-4,7,19-20,22H,5-6H2,1-2H3 |
| Smiles | CC1(CCC2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C(=C(C=C4)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Cowa (Plant) Rel Props:Source_db:cmaup_ingredients