Hyperxanthone C
PubChem CID: 11302345
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| Compound Synonyms | hyperxanthone C, CHEBI:66057, 2,3,6,8-tetrahydroxy-1-(2-hydroxy-3-methylbut-3-en-1-yl)-9H-xanthen-9-one, 2,3,6,8-tetrahydroxy-1-(2-hydroxy-3-methylbut-3-enyl)xanthen-9-one, CHEMBL484835, Q27134568, 819860-74-7 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 536.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,6,8-tetrahydroxy-1-(2-hydroxy-3-methylbut-3-enyl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C18H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GONMHOQVFDWXLV-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.451 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.772 |
| Compound Name | Hyperxanthone C |
| Prediction Hob Swissadme | 0.0 |
| 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 | -4.408777799999999 |
| Inchi | InChI=1S/C18H16O7/c1-7(2)10(20)5-9-15-14(6-12(22)17(9)23)25-13-4-8(19)3-11(21)16(13)18(15)24/h3-4,6,10,19-23H,1,5H2,2H3 |
| Smiles | CC(=C)C(CC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
| Nring | 3.0 |
| 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