2,6-Dihydroxyxanthone
PubChem CID: 14408256
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| Compound Synonyms | 2,6-dihydroxyxanthone, SCHEMBL7337235, CHEMBL3357570, 2,6-dihydroxy-9h -xanthen-9-one, AKOS022656420, 838-11-9 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2,6-dihydroxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C13H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UHFHFHSHVGUMIQ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.462 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.508 |
| Compound Name | 2,6-Dihydroxyxanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 228.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.628270364705882 |
| Inchi | InChI=1S/C13H8O4/c14-7-2-4-11-10(5-7)13(16)9-3-1-8(15)6-12(9)17-11/h1-6,14-15H |
| Smiles | C1=CC2=C(C=C1O)OC3=C(C2=O)C=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cudrania Tricuspidata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all