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LL-Z1220

CAT: 0804-HY-118132Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-118132Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LL-Z1220 is a novel antibiotic with the structure of 2- (3,8-dioxopentacyclo[5.1.0.0^~^~]oct-5-en-5-yl) -4H-pyran-4-one. This appears to be the first reported natural product containing a benzene dioxide group. This antibiotic readily undergoes valence isomerization to form 1,4-dioxopentacyclo. The chemical and spectroscopic properties of the antibiotic suggest that the benzene dioxide has a cis configuration.
CAS Number
36431-52-4
UNSPSC
12352005
Target
Antibiotic
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/ll-z1220.html
Smiles
O=C1C=C(OC=C1)C2=C[C@]3(O[C@]3([C@@]4(O[C@]24[H])[H])[H])[H]
Molecular Formula
C11H8O4
Molecular Weight
204.18
References & Citations
[1]Structure and Valence Isomerization of LL-Z1220. An Antibiotic Containing a Benzene Dioxide Moiety
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

LL-Z 1220

structure

CAS Number36431-52-4
PubChem CID193737
IUPAC Name2-[(1R,2R,4R,7R)-3,8-dioxatricyclo[5.1.0.02,4]oct-5-en-5-yl]pyran-4-one
Molecular FormulaC11H8O4
Molecular Weight204.18
XLogP-0.7
Topological Polar Surface Area51.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity446
SMILES
C1=COC(=CC1=O)C2=C[C@@H]3[C@@H](O3)[C@H]4[C@@H]2O4
InChI
InChI=1S/C11H8O4/c12-5-1-2-13-7(3-5)6-4-8-10(14-8)11-9(6)15-11/h1-4,8-11H/t8-,9-,10-,11-/m1/s1
InChIKey
WWHMQTDCCWMKQY-GWOFURMSSA-N
Chemical Structure
2D Structure
2D structure of LL-Z 1220
CAS: 36431-52-4
CID: 193737
Formula: C11H8O4
MW: 204.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.18
XLogP3-0.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass204.04225873
Monoisotopic Mass204.04225873
Topological Polar Surface Area51.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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