Kanzonol E
PubChem CID: 15516846
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| Compound Synonyms | Kanzonol E, 2-(2,2-dimethylchromen-6-yl)-7-hydroxy-6-(3-methylbut-2-enyl)chromen-4-one, CHEMBL4082883, CHEBI:168765, LMPK12110034, 155233-21-9 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 727.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,2-dimethylchromen-6-yl)-7-hydroxy-6-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C25H24O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YQCBVKUBTQVHOT-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Logs | -3.579 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.236 |
| Compound Name | Kanzonol E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 388.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 388.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.539446462068966 |
| Inchi | InChI=1S/C25H24O4/c1-15(2)5-6-16-12-19-21(27)14-23(28-24(19)13-20(16)26)17-7-8-22-18(11-17)9-10-25(3,4)29-22/h5,7-14,26H,6H2,1-4H3 |
| Smiles | CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC4=C(C=C3)OC(C=C4)(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients