3,5,8-Trihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one
PubChem CID: 46872919
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL3314606 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,8-trihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C18H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RRMPIEAXERVWKC-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -3.575 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.266 |
| Compound Name | 3,5,8-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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.417750666666667 |
| Inchi | InChI=1S/C18H16O6/c1-18(2)14(20)6-10-12(24-18)7-13-15(17(10)22)16(21)9-5-8(19)3-4-11(9)23-13/h3-5,7,14,19-20,22H,6H2,1-2H3 |
| Smiles | CC1(C(CC2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C=CC(=C4)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
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