Hyperxanthone A
PubChem CID: 11772291
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| Compound Synonyms | hyperxanthone A, 4,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-1,2-dihydrofuro(3,2-a)xanthen-11-one, 4,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-1,2-dihydrofuro[3,2-a]xanthen-11-one, CHEMBL520507, 819860-72-5 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 550.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-1,2-dihydrofuro[3,2-a]xanthen-11-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C18H16O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SVMJDJABXKINOS-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -3.74 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.131 |
| Compound Name | Hyperxanthone A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 344.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 344.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2131778 |
| Inchi | InChI=1S/C18H16O7/c1-18(2,23)13-5-8-14-12(6-10(21)17(8)25-13)24-11-4-7(19)3-9(20)15(11)16(14)22/h3-4,6,13,19-21,23H,5H2,1-2H3 |
| Smiles | CC(C)(C1CC2=C(O1)C(=CC3=C2C(=O)C4=C(C=C(C=C4O3)O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Scabrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all