7-(2,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
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![7-(2,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f8dfac5f7e074956864fdca197a0e1ad.png "7-(2,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one")
7-(2,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
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CAS No:
20387-73-9
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Formula:
C25H24O6
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Chemical Name:
7-(2,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
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Synonyms:
AURICULATIN;NSC285657;UNII-S9EN4D8F6C;S9EN4D8F6C;7-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one;NSC 285657;SCHEMBL3130630;CHEMBL4217183;CTK8H5164;DTXSID10174322
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CAS No:
7-(2,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one Basic Attributes
420.45446
420.157
S9EN4D8F6C
285657
DTXSID10174322
7-(2,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one Use and Manufacturing
Polyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Computed Properties
Molecular Weight:420.5
XLogP3:5.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:420.15728848
Monoisotopic Mass:420.15728848
Topological Polar Surface Area:96.2
Heavy Atom Count:31
Complexity:792
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
7-(2,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
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