(R)-Hispaglabridin B
PubChem CID: 5318057
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| Compound Synonyms | (R)-Hispaglabridin B, SCHEMBL12866257, CHEBI:175116, CJUFYKORDZSOLF-UHFFFAOYSA-N, LMPK12080020, 6-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-2,2-dimethylchromen-5-ol, 6-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-]chromen-3-yl)-2,2-dimethylchromen-5-ol, (R)-6-(8,8-Dimethyl-2,3,4,8-tetrahydropyrano[2,3-f]chromen-3-yl)-2,2-dimethyl-2H-chromen-5-ol |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Description | Isolated from Glycyrrhiza glabra (licorice). (R)-Hispaglabridin B is found in tea and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 680.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-2,2-dimethylchromen-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C25H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CJUFYKORDZSOLF-UHFFFAOYSA-N |
| Fcsp3 | 0.36 |
| Logs | -3.34 |
| Rotatable Bond Count | 1.0 |
| Logd | 5.6 |
| Synonyms | Hispaglabridin B |
| Compound Name | (R)-Hispaglabridin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 390.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 390.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.758276696551725 |
| Inchi | InChI=1S/C25H26O4/c1-24(2)11-9-18-20(28-24)8-6-17(22(18)26)16-13-15-5-7-21-19(23(15)27-14-16)10-12-25(3,4)29-21/h5-12,16,26H,13-14H2,1-4H3 |
| Smiles | CC1(C=CC2=C(O1)C=CC(=C2O)C3CC4=C(C5=C(C=C4)OC(C=C5)(C)C)OC3)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients