6,11,12-trihydroxy-3-(hydroxymethyl)-5,13-dimethoxy-1,9-dimethyl-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaen-16-one
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![6,11,12-trihydroxy-3-(hydroxymethyl)-5,13-dimethoxy-1,9-dimethyl-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaen-16-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/449e875e8cad488ba0267bb75557a834.png "6,11,12-trihydroxy-3-(hydroxymethyl)-5,13-dimethoxy-1,9-dimethyl-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaen-16-one")
6,11,12-trihydroxy-3-(hydroxymethyl)-5,13-dimethoxy-1,9-dimethyl-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaen-16-one
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CAS No:
324518-10-7
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Formula:
C20H20O9
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Chemical Name:
6,11,12-trihydroxy-3-(hydroxymethyl)-5,13-dimethoxy-1,9-dimethyl-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaen-16-one
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Synonyms:
integrastatin A;Integrastatin A;324518-10-7;4,7,8-trihydroxy-1-(hydroxymethyl)-3,9-dimethoxy-6,12-dimethyl-6H-6,12-epoxydibenzo[b,f]oxocin-11(12H)-one;trihydroxy-(hydroxymethyl)-dimethoxy-dimethyl-[?]one;6,12-Epoxy-6H-dibenz(b,f)oxocin-11(12H)-one, 4,7,8-trihydroxy-1-(hydroxymethyl)-3,9-dimethoxy-6,12-dimethyl-;6,12-Epoxy-6H-dibenz[b,f]oxocin-11(12H)-one, 4,7,8-trihydroxy-1-(hydroxymethyl)-3,9-dimethoxy-6,12-dimethyl-;CHEBI:66079;DTXSID10954207;Q27134592;rac-4,7,8-trihydroxy-1-(hydroxymethyl)-3,9-dimethoxy-6,12-dimethyl-6H-6,12-epoxydibenzo[b,f]oxocin-11(12H)-one
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CAS No:
Description
Integrastatin A is an organic heterotetracyclic compound that is 6H-6,12-epoxydibenzo[b,f]oxocin-11(12H)-one substituted by hydroxy groups at positions 4, 7 and 8, a hydroxymethyl group position 1, methyl groups at positions 6 and 12 and methoxy groups at positions 3 and 9. It is isolated as a racemate from Unidentified fungi (New mexico) and has been shown to exhibit inhibitory activity against HIV-1 integrase. It has a role as a metabolite and a HIV-1 integrase inhibitor. It is an aromatic ether, a bridged compound, a cyclic ether, a cyclic ketone, an organic heterotetracyclic compound, a polyphenol and a primary alcohol.
6,11,12-trihydroxy-3-(hydroxymethyl)-5,13-dimethoxy-1,9-dimethyl-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaen-16-one Basic Attributes
404.4 g/mol
404.11073221 g/mol
Computed Properties
Molecular Weight:404.4
XLogP3:1.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:404.11073221
Monoisotopic Mass:404.11073221
Topological Polar Surface Area:135
Heavy Atom Count:29
Complexity:658
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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