6-hydroxy-2-[(1S)-1-hydroxy-3-methylbutyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one
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![6-hydroxy-2-[(1S)-1-hydroxy-3-methylbutyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6d371072d2ee4c4f8dd4127f03159da9.png "6-hydroxy-2-[(1S)-1-hydroxy-3-methylbutyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one")
6-hydroxy-2-[(1S)-1-hydroxy-3-methylbutyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one
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CAS No:
55303-92-9
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Formula:
C21H24O6
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Chemical Name:
6-hydroxy-2-[(1S)-1-hydroxy-3-methylbutyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one
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Synonyms:
3-(1'-hydroxy-3'-methylbutyl)-11-hydroxy-4-methoxy-9-methyl-5H,7H-dibenzo(c,f)(1,5)-dioxocin-5-one;vermixocin A;Vermixocin A;AS-186a;PENICILLIDE;UNII-2B37T22RU5;CHEMBL325752;11-hydroxy-3-[(1s)-1-hydroxy-3-methylbutyl]-4-methoxy-9-methyl-5h,7h-dibenzo[b,g][1,5]dioxocin-5-one;CHEBI:65443;2B37T22RU5;Penicilide;SCHEMBL5940739;DTXSID90970627;ZINC6070256;BDBM50167286;6-hydroxy-2-[(1S)-1-hydroxy-3-methylbutyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one;Q27133889;11-Hydroxy-3-((S)-1-hydroxy-3-methyl-butyl)-4-methoxy-9-methyl-7H-6,12-dioxa-dibenzo[a,d]cycloocten-5-one;11-Hydroxy-3-(1-hydroxy-3-methylbutyl)-4-methoxy-9-methyl-5H,7H-dibenzo[b,g][1,5]dioxocin-5-one;3-(1'-Hydroxy-3'-methylbutyl)-11-hydroxy-4-methoxy-9-methyl-5H,7H-dibenzo(c,f)(1,5)-dioxocin-5-one;5H,7H-Dibenzo(b,g)(1,5)dioxocin-5-one, 11-hydroxy-3-(1-hydroxy-3-methylbutyl)-4-methoxy-9-methyl-, (S)-
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CAS No:
Description
AS-186a is a dibenzodioxocine that is 5H,7H-dibenzo[b,g][1,5]dioxocin-5-one substituted by a hydroxy group at position 11, a (1S)-1-hydroxy-3-methylbutyl group at position 3 and a methoxy and a methyl group at positions 4 and 9 respectively. It is isolated from the culture broth of Penicillium asperosporum and acts as an acyl-CoA:cholesterol acyltransferase inhibitor. It has a role as an EC 2.3.1.26 (sterol O-acyltransferase) inhibitor, an antimicrobial agent and a Penicillium metabolite. It is a member of phenols, an aromatic ether, a lactone, a secondary alcohol and a dibenzodioxocine.
6-hydroxy-2-[(1S)-1-hydroxy-3-methylbutyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one Basic Attributes
372.4 g/mol
372.15728848 g/mol
2B37T22RU5
Drug Information
3-(1'-hydroxy-3'-methylbutyl)-11-hydroxy-4-methoxy-9-methyl-5H,7H-dibenzo(c,f)(1,5)-dioxocin-5-one
Computed Properties
Molecular Weight:372.4
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:372.15728848
Monoisotopic Mass:372.15728848
Topological Polar Surface Area:85.2
Heavy Atom Count:27
Complexity:509
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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