4-Hydroxyxanthone
PubChem CID: 611428
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| Compound Synonyms | 4-Hydroxyxanthone, 4-hydroxyxanthen-9-one, 9H-Xanthen-9-one, 4-hydroxy-, 14686-63-6, 4-Hydroxy-9H-xanthen-9-one, 4-Oxidanylxanthen-9-one, 3DU8IL6F8E, 4-hydroxy-9H-9-xanthenone, Xanthen-9-one, 4-hydroxy-, 4-Hydroxy-xanthen-9-one, UNII-3DU8IL6F8E, CHEMBL359978, DTXSID50346349, 4-Hydroxy-9H-xanthen-9-one, 9CI, 4-hydroxy-9-oxoxanthene, SCHEMBL1788224, 4-Hydroxy-9H-xanthen-9-one #, DTXCID90297422, CHEBI:174079, PAA68663, BDBM50155413, MFCD01313128, AKOS022650647, CS-0876740, AE-641/00133017 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2CCCCC21 |
| Np Classifier Class | Plant xanthones |
| Deep Smiles | Occcccc6occcccc6c%10=O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Benzopyrans |
| Description | From seeds of Mammea americana (mamey). 4-Hydroxyxanthone is found in fruits. |
| Scaffold Graph Node Level | OC1C2CCCCC2OC2CCCCC21 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxyxanthen-9-one |
| Class | Benzopyrans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.0 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1-benzopyrans |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H8O3 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2oc2ccccc12 |
| Inchi Key | KBQFPPUAIJHDCO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 4-Hydroxy-9H-xanthen-9-one, 9CI, 4-Hydroxy-9H-xanthen-9-one, 9ci, 4-Hydroxyxanthone, 4-hydroxyxanthone |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | 4-Hydroxyxanthone |
| Kingdom | Organic compounds |
| Exact Mass | 212.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 212.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H8O3/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7,14H |
| Smiles | C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Xanthones |
| Np Classifier Superclass | Xanthones |
- 1. Outgoing r'ship
FOUND_INto/from Calophyllum Inophyllum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/25730799 - 2. Outgoing r'ship
FOUND_INto/from Mammea Americana (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279