5,7-Dihydroxy-3-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,3-dihydrochromen-4-one
PubChem CID: 70698121
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| Compound Synonyms | Q27137433 |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | QYZNGBWQHYNRBM-UHFFFAOYSA-N |
| Fcsp3 | 0.35 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Compound Name | 5,7-Dihydroxy-3-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 356.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.126 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 548.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 356.4 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)-2,3-dihydrochromen-4-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -4.555257261538462 |
| Inchi | InChI=1S/C20H20O6/c1-20(2)6-5-12-14(22)4-3-11(19(12)26-20)13-9-25-16-8-10(21)7-15(23)17(16)18(13)24/h3-4,7-8,13,21-23H,5-6,9H2,1-2H3 |
| Smiles | CC1(CCC2=C(C=CC(=C2O1)C3COC4=CC(=CC(=C4C3=O)O)O)O)C |
| Xlogp | 3.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H20O6 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients