5,7-Dihydroxy-3-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one
PubChem CID: 11013649
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL512234 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | UGBJBPPUHGPDNB-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 26.0 |
| Compound Name | 5,7-Dihydroxy-3-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one |
| Exact Mass | 354.11 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 354.11 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 585.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 354.4 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one |
| Total Atom Stereocenter Count | 1.0 |
| Nih Violation | False |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H18O6/c1-10(2)16(23)6-12-5-11(3-4-15(12)22)14-9-26-18-8-13(21)7-17(24)19(18)20(14)25/h3-5,7-9,16,21-24H,1,6H2,2H3 |
| Smiles | CC(=C)C(CC1=C(C=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O)O |
| Xlogp | 3.5 |
| Is Pains | False |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H18O6 |
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