3,5,7-trihydroxy-2-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]chromen-4-one
PubChem CID: 163092194
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 116.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 642.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 3,5,7-trihydroxy-2-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C20H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UFWHTSBKDGUFOX-OAHLLOKOSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.031 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.195 |
| Compound Name | 3,5,7-trihydroxy-2-[(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 370.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9577319185185185 |
| Inchi | InChI=1S/C20H18O7/c1-20(2)15(23)6-10-5-9(3-4-13(10)27-20)19-18(25)17(24)16-12(22)7-11(21)8-14(16)26-19/h3-5,7-8,15,21-23,25H,6H2,1-2H3/t15-/m1/s1 |
| Smiles | CC1([C@@H](CC2=C(O1)C=CC(=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients