 Home > Encyclopedia > 7,21-dihydroxy-17,17-dimethyl-14-(3-methylbut-2-enyl)-10,12,16-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),3(11),4(9),5,7,14,18,20-octaen-2-one

7,21-dihydroxy-17,17-dimethyl-14-(3-methylbut-2-enyl)-10,12,16-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),3(11),4(9),5,7,14,18,20-octaen-2-one

7,21-dihydroxy-17,17-dimethyl-14-(3-methylbut-2-enyl)-10,12,16-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),3(11),4(9),5,7,14,18,20-octaen-2-one structure

CAS No:
78338-36-0
Formula:
C25H22O6
Chemical Name:
7,21-dihydroxy-17,17-dimethyl-14-(3-methylbut-2-enyl)-10,12,16-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),3(11),4(9),5,7,14,18,20-octaen-2-one
Synonyms:
Millettin;2H,6H-Benzofuro(2,3-b)pyrano(3,2-g)(1)benzopyran-6-one,5,9-dihydroxy-2,2-dimethyl-13-(3-methyl-2-butenyl)-;78338-36-0;SCHEMBL9466678;CHEMBL4549847;DTXSID50229007;LMPK12160010;5,9-dihydroxy-2,2-dimethyl-13-(3-methyl-2-butenyl)-2h,6h-benzofuro[2,3-b]pyrano[3,2-g][1]benzopyran-6-one

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7,21-dihydroxy-17,17-dimethyl-14-(3-methylbut-2-enyl)-10,12,16-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),3(11),4(9),5,7,14,18,20-octaen-2-one Basic Attributes

Molecular Weight：

418.4 g/mol

Exact Mass：

418.14163842 g/mol

DSSTox ID：

DTXSID50229007

Characteristics

PSA：

89.1 Å²

7,21-dihydroxy-17,17-dimethyl-14-(3-methylbut-2-enyl)-10,12,16-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),3(11),4(9),5,7,14,18,20-octaen-2-one Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Other Flavonoids [PK1216]

Computed Properties

Molecular Weight:418.4
XLogP3:6.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:418.14163842
Monoisotopic Mass:418.14163842
Topological Polar Surface Area:89.1
Heavy Atom Count:31
Complexity:783
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7,21-dihydroxy-17,17-dimethyl-14-(3-methylbut-2-enyl)-10,12,16-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),3(11),4(9),5,7,14,18,20-octaen-2-one

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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