Derrubone
3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
Also Known As: derrubone|Spectrum_001813|Spectrum2_000048|Spectrum3_000230|Spectrum4_000946|Spectrum5_001728|BSPBio_001879|KBioGR_001532|KBioSS_002309|SPECTRUM201650|KBio2_007443|SPBio_000175|ERK5-6L22|KBio2_002307|KBio2_004875|KBio3_001379|TN8336|SDCCGMLS-0066443.P001|NCGC00095513-01|NCGC00095513-02|NCGC00178932-01|5,7-Dihydroxy-3',4'-methylenedioxy-6-prenylisoflavone|SR-05000002621-1|BRD-K59272984-001-02-6|3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one|Isoflavone, 5,7-dihydroxy-6-(3-methyl-2-butenyl)-3',4'-(methylenedioxy)-|3-(1,3-Benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one|4H-1-Benzopyran-4-one, 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)- (|3-(1,3-Benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-4H-chromen-4-one|3-(1,3-Benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one|3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-1-benzopyran-4-one
| Molecular Formula | C21H18O6 |
|---|---|
| Molecular Weight | 366.11035 g/mol |
| LogP | 4.1086 |
| Topological Polar Surface Area | 89.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.11035 |
| Monoisotopic Mass | 366.11035 |
| Heavy Atoms | 27 |
| Complexity | 1135.5975 |
Chemical Identifiers
| CAS Number | 22044-58-2 |
|---|---|
| SMILES | CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC4=C(C=C3)OCO4)O)C |
Product Overview
Derrubone (CAS 22044-58-2), with molecular formula C21H18O6 and molecular weight 366.11035 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one.