(2R)-2-(2,2-dimethylchromen-6-yl)-7-hydroxy-8-(5-methylhex-4-enyl)-2,3-dihydrochromen-4-one
PubChem CID: 162987259
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 55.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 704.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-(2,2-dimethylchromen-6-yl)-7-hydroxy-8-(5-methylhex-4-enyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C27H30O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GMOCXMGQQZXIKU-RUZDIDTESA-N |
| Fcsp3 | 0.3703703703703703 |
| Logs | -1.208 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.468 |
| Compound Name | (2R)-2-(2,2-dimethylchromen-6-yl)-7-hydroxy-8-(5-methylhex-4-enyl)-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 418.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 418.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 418.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.322556212903226 |
| Inchi | InChI=1S/C27H30O4/c1-17(2)7-5-6-8-20-22(28)11-10-21-23(29)16-25(30-26(20)21)18-9-12-24-19(15-18)13-14-27(3,4)31-24/h7,9-15,25,28H,5-6,8,16H2,1-4H3/t25-/m1/s1 |
| Smiles | CC(=CCCCC1=C(C=CC2=C1O[C@H](CC2=O)C3=CC4=C(C=C3)OC(C=C4)(C)C)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients