(3R)-7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-5-methoxy-2,3-dihydrochromen-4-one
PubChem CID: 162934412
Connections displayed (default: 10).
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| Topological Polar Surface Area | 85.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 601.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-5-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C21H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZIDJFMZHWCAFPM-AWEZNQCLSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -4.136 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.299 |
| Compound Name | (3R)-7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-5-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 368.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 368.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3746758888888895 |
| Inchi | InChI=1S/C21H20O6/c1-21(2)7-6-13-15(27-21)5-4-12(19(13)23)14-10-26-17-9-11(22)8-16(25-3)18(17)20(14)24/h4-9,14,22-23H,10H2,1-3H3/t14-/m0/s1 |
| Smiles | CC1(C=CC2=C(O1)C=CC(=C2O)[C@@H]3COC4=C(C3=O)C(=CC(=C4)O)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Aspera (Plant) Rel Props:Source_db:cmaup_ingredients