1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]-2-methylpropan-1-one
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![1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]-2-methylpropan-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/790f576f732343d9bb5dd89ae02e23b9.png "1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]-2-methylpropan-1-one")
1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]-2-methylpropan-1-one
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CAS No:
126026-30-0
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Formula:
C26H32O9
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Chemical Name:
1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]-2-methylpropan-1-one
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Synonyms:
3-(3-methyl-2-hydroxybut-3-enyl)-5-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)phlorisobutyrophenone;isomallotolerin;Isomallotolerin;126026-30-0;DTXSID00925380;3-(3-Methyl-2-hydroxybut-3-enyl)-5-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)phlorisobutyrophenone;A808699;1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(2-hydroxy-3-methyl-3-butenyl)phenyl]-2-methyl-1-propanone;1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]-2-methyl-1-propanone;1-[3-[[5-ethanoyl-2-methoxy-3-methyl-4,6-bis(oxidanyl)phenyl]methyl]-5-(3-methyl-2-oxidanyl-but-3-enyl)-2,4,6-tris(oxidanyl)phenyl]-2-methyl-propan-1-one;1-{3-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(2-hydroxy-3-methylbut-3-en-1-yl)phenyl}-2-methylpropan-1-one;1-Propanone, 1-(3-((3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-2,4,6-trihydroxy-5-(2-hydroxy-3-methyl-3-butenyl)phenyl)-2-methyl-
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CAS No:
1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]-2-methylpropan-1-one Basic Attributes
488.5 g/mol
488.20463259 g/mol
Drug Information
3-(3-methyl-2-hydroxybut-3-enyl)-5-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)phlorisobutyrophenone
Computed Properties
Molecular Weight:488.5
XLogP3:4.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:488.20463259
Monoisotopic Mass:488.20463259
Topological Polar Surface Area:165
Heavy Atom Count:35
Complexity:768
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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