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Armeniaspirol C

CAT: 0804-HY-N15551Size: 1 EachDry Ice: NoHazardous: No
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Description
Armeniaspirol C is a potent antibacterial agent targeting Gram-positive bacteria. Armeniaspirol C is is promising for research of infections caused by multidrug-resistant Gram-positive bacteria[1].
CAS Number
1206881-49-3
UNSPSC
12352005
Target
Bacterial
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
O=C1[C@]2(C(Cl)=C(C(N2C)=O)Cl)OC3=C(CCC[C@@H](C)CC)C(O)=CC=C31
Molecular Formula
C19H21Cl2NO4
Molecular Weight
398.28
References & Citations
[1]Qiao Y, et al. Characterization of the Biosynthetic Gene Cluster for the Antibiotic Armeniaspirols in Streptomyces armeniacus. J Nat Prod. 2019 Feb 22;82 (2) :318-323.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Armeniaspirol C

Armeniaspirol C is a member of benzofurans.

CAS Number1206881-49-3
PubChem CID58534984
IUPAC Name(2R)-3',4'-dichloro-6-hydroxy-1'-methyl-7-[(4S)-4-methylhexyl]spiro[1-benzofuran-2,5'-pyrrole]-2',3-dione
Molecular FormulaC19H21Cl2NO4
Molecular Weight398.3
XLogP5.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity637
SMILES
CC[C@H](C)CCCC1=C(C=CC2=C1O[C@]3(C2=O)C(=C(C(=O)N3C)Cl)Cl)O
InChI
InChI=1S/C19H21Cl2NO4/c1-4-10(2)6-5-7-11-13(23)9-8-12-15(11)26-19(17(12)24)16(21)14(20)18(25)22(19)3/h8-10,23H,4-7H2,1-3H3/t10-,19-/m0/s1
InChIKey
WMKWPEBMZCUXQG-OVWNDWIMSA-N
Chemical Structure
2D Structure
2D structure of Armeniaspirol C
CAS: 1206881-49-3
CID: 58534984
Formula: C19H21Cl2NO4
MW: 398.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.3
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass397.0847635
Monoisotopic Mass397.0847635
Topological Polar Surface Area66.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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