(1S)-1,7,8,9-tetrahydroxy-1,2-dihydrocyclopenta[c]isochromene-3,5-dione
PubChem CID: 156022119
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| Compound Synonyms | CHEMBL4649620 |
|---|---|
| Topological Polar Surface Area | 124.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 482.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-1,7,8,9-tetrahydroxy-1,2-dihydrocyclopenta[c]isochromene-3,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | -0.8 |
| Molecular Formula | C12H8O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RMPDDEXFLGUXNR-BYPYZUCNSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -2.845 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.155 |
| Compound Name | (1S)-1,7,8,9-tetrahydroxy-1,2-dihydrocyclopenta[c]isochromene-3,5-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.027 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 264.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0799454842105258 |
| Inchi | InChI=1S/C12H8O7/c13-4-2-6(15)11-8(4)7-3(12(18)19-11)1-5(14)9(16)10(7)17/h1,4,13-14,16-17H,2H2/t4-/m0/s1 |
| Smiles | C1[C@@H](C2=C(C1=O)OC(=O)C3=CC(=C(C(=C32)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Hirta (Plant) Rel Props:Source_db:cmaup_ingredients