(6R,7R)-7,9-dihydroxy-6-phenyl-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one
PubChem CID: 56666462
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| Compound Synonyms | CHEMBL1802148 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 434.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6R,7R)-7,9-dihydroxy-6-phenyl-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C16H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WVADKXWSLHLDCL-LSDHHAIUSA-N |
| Fcsp3 | 0.1875 |
| Logs | -2.637 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.737 |
| Compound Name | (6R,7R)-7,9-dihydroxy-6-phenyl-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.526085563636364 |
| Inchi | InChI=1S/C16H12O6/c17-12-11-9(6-10-16(13(11)18)21-7-20-10)22-15(14(12)19)8-4-2-1-3-5-8/h1-6,14-15,18-19H,7H2/t14-,15+/m0/s1 |
| Smiles | C1OC2=C(O1)C(=C3C(=C2)O[C@@H]([C@H](C3=O)O)C4=CC=CC=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pisonia Aculeata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all