aspyrone
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aspyrone
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CAS No:
17398-00-4
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Formula:
C9H12O4
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Chemical Name:
aspyrone
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Synonyms:
aspyrone;aspiron;(5s,6r)-5-hydroxy-6-methyl-3-[(2s,3s)-3-methyloxiran-2-yl]-5,6-dihydro-2h-pyran-2-one;SCHEMBL1008312;CTK4D4841;RCAULRNMJFUWRP-HETMPLHPSA-;DTXSID50169737;CHEBI:156387;J-010958
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CAS No:
Description
Aspyrone is a member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one in which the hydrogens at positions 3, 5S and 6R are replaced by (2S,3S)-3-methyloxiran-2-yl, hydroxy and methyl groups, respectively. It is a fungal metabolite isolated from Aspergillus melleus and exhibits nematicidal, antibacterial and antifungal properties. It has a role as a mycotoxin, an antibacterial agent, an Aspergillus metabolite and a nematicide. It is a secondary alcohol, an epoxide, a polyketide, an antibiotic antifungal agent and a member of 2-pyranones.
Computed Properties
Molecular Weight:184.19
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:184.07355886
Monoisotopic Mass:184.07355886
Topological Polar Surface Area:59.1
Heavy Atom Count:13
Complexity:271
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
- Hot Searches
- e1390
- bromobenzene density
- propyne
- cabr2
- cefipime
- dimethyl terephthalate drug