3,4,5,6-Tetrahydroxyxanthone
PubChem CID: 10015450
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| Compound Synonyms | 3,4,5,6-tetrahydroxyxanthone, 99420-08-3, 3,4,5,6-tetrahydroxyxanthen-9-one, 3,4,5,6-Tetrahydroxy-9H-xanthen-9-one, CHEMBL477921, SCHEMBL1444851, ZDA42008, BDBM50292546, 684-984-2 |
|---|---|
| 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;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P12821, P54710, P36639 |
| Iupac Name | 3,4,5,6-tetrahydroxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Class | Benzopyrans |
| Target Id | NPT1166 |
| Xlogp | 1.5 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1-benzopyrans |
| Molecular Formula | C13H8O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MUWSBAZQOGXKJK-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.587 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.026 |
| Synonyms | 3456-Tetrahydroxyxanthone |
| Compound Name | 3,4,5,6-Tetrahydroxyxanthone |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.3152093578947364 |
| Inchi | InChI=1S/C13H8O6/c14-7-3-1-5-9(16)6-2-4-8(15)11(18)13(6)19-12(5)10(7)17/h1-4,14-15,17-18H |
| Smiles | C1=CC(=C(C2=C1C(=O)C3=C(O2)C(=C(C=C3)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Xanthones |
- 1. Outgoing r'ship
FOUND_INto/from Tripterospermum Lanceolatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all