2,3,6,7-Tetrahydroxyxanthone
PubChem CID: 10355231
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| Compound Synonyms | CHEMBL12700, 2,3,6,7-Tethrahydroxyxanthone, 2,3,6,7-tetrahydroxyxanthone, SCHEMBL2318335, BDBM50292545 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 340.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P12821 |
| Iupac Name | 2,3,6,7-tetrahydroxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Target Id | NPT1166 |
| Xlogp | 1.5 |
| Molecular Formula | C13H8O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FBMMWMPAZUAGMX-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.656 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.283 |
| Compound Name | 2,3,6,7-Tetrahydroxyxanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.032 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 260.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3152093578947364 |
| Inchi | InChI=1S/C13H8O6/c14-7-1-5-11(3-9(7)16)19-12-4-10(17)8(15)2-6(12)13(5)18/h1-4,14-17H |
| Smiles | C1=C2C(=CC(=C1O)O)OC3=CC(=C(C=C3C2=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tripterospermum Lanceolatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all