8-[7-hydroxy-6-(3-methylbut-2-enyl)-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
PubChem CID: 137649778
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| Compound Synonyms | CHEMBL4077601 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 687.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[7-hydroxy-6-(3-methylbut-2-enyl)-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C25H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ROAFHQWPBLFDBN-UHFFFAOYSA-N |
| Fcsp3 | 0.28 |
| Logs | -4.036 |
| Rotatable Bond Count | 3.0 |
| Logd | 5.16 |
| Compound Name | 8-[7-hydroxy-6-(3-methylbut-2-enyl)-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.878276696551724 |
| Inchi | InChI=1S/C25H26O4/c1-15(2)5-6-16-11-17-12-18(14-28-23(17)13-22(16)27)19-7-8-21(26)20-9-10-25(3,4)29-24(19)20/h5,7-13,26-27H,6,14H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=C2C(=C1)C=C(CO2)C3=C4C(=C(C=C3)O)C=CC(O4)(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