Integrastatin B
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Integrastatin B
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CAS No:
324518-09-4
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Formula:
C20H18O9
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Chemical Name:
Integrastatin B
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Synonyms:
6,12-Epoxy-6H-dibenz[b,f]oxocin-1-carboxaldehyde,11,12-dihydro-4,7,8-trihydroxy-3,9-dimethoxy-6,12-dimethyl-11-oxo-;11,12-Dihydro-4,7,8-trihydroxy-3,9-dimethoxy-6,12-dimethyl-11-oxo-6,12-epoxy-6H-dibenz[b,f]oxocin-1-carboxaldehyde;Integrastatin B
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CAS No:
Description
Integrastatin B is an organic heterotetracyclic compound that is 11,12-dihydro-6H-6,12-epoxydibenzo[b,f]oxocine substituted by hydroxy groups at positions 4, 7 and 8, methoxy groups at positions 3 and 9, methyl groups at positions 6 and 12, an oxo group at position 11 and a formyl group at position 1. It is isolated as a racemate from Ascochyta and exhibits inhibitory activity against HIV-1 integrase. It has a role as a metabolite and a HIV-1 integrase inhibitor. It is an organic heterotetracyclic compound, a cyclic ether, a polyphenol, an aromatic ether, a cyclic ketone, an aldehyde and a bridged compound.
Computed Properties
Molecular Weight:402.4
XLogP3:1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:402.09508215
Monoisotopic Mass:402.09508215
Topological Polar Surface Area:132
Heavy Atom Count:29
Complexity:685
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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