7-Hydroxy-5-methoxy-3-(5-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-2-one
PubChem CID: 162874301
Connections displayed (default: 10).
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| Topological Polar Surface Area | 74.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 629.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-5-methoxy-3-(5-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C22H22O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XILBZGRYBSYBDA-UHFFFAOYSA-N |
| Fcsp3 | 0.3181818181818182 |
| Logs | -4.571 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.692 |
| Compound Name | 7-Hydroxy-5-methoxy-3-(5-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 382.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 382.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.300611542857144 |
| Inchi | InChI=1S/C22H22O6/c1-22(2)8-7-14-17(28-22)6-5-13(20(14)26-4)15-11-16-18(25-3)9-12(23)10-19(16)27-21(15)24/h5-6,9-11,23H,7-8H2,1-4H3 |
| Smiles | CC1(CCC2=C(O1)C=CC(=C2OC)C3=CC4=C(C=C(C=C4OC)O)OC3=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