(R)-Hispaglabridin A
PubChem CID: 4484221
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| Compound Synonyms | (R)-Hispaglabridin A, CHEBI:175139, HZHXMXSXYQCAIG-UHFFFAOYSA-N, (R)-4-(8,8-Dimethyl-2,3,4,8-tetrahydropyrano[2,3-f]chromen-3-yl)-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol, 1,3-Benzenediol, 4-(3,4-dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl)-2-(3-methyl-2-butenyl)-, (R)-, 1,3-Benzenediol, 4-[(3R)-3,4-dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-2-(3-methyl-2-butenyl)-, 4-(3,4-dihydro-8 ,8-dimethyl-2h,8h-benzo[1,2-b:3,4-b'] dipyran-3-yl)-2-(3-methyl-2-butenyl)-1,3-benzenediol, 4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-]chromen-3-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Description | Isolated from Glycyrrhiza glabra (licorice). (R)-Hispaglabridin A is found in tea and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 635.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Molecular Formula | C25H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HZHXMXSXYQCAIG-UHFFFAOYSA-N |
| Fcsp3 | 0.36 |
| Logs | -3.43 |
| Rotatable Bond Count | 3.0 |
| Logd | 5.012 |
| Synonyms | Hispaglabridin A |
| Compound Name | (R)-Hispaglabridin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 392.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 392.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.048275896551725 |
| Inchi | InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1O)C2CC3=C(C4=C(C=C3)OC(C=C4)(C)C)OC2)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 - 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