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Albocycline

CAT: 0804-HY-121000Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-121000Size:1 Each
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Description
Albocycline (Ingramycin) is a macrolide antibiotic, which exhibits antibacterial activities against methicillin-resistant Staphylococcus aureus (MRSA), Vancomycin -intermediate (VISA), and Vancomycin (HY-B0671) -resistant S. aureus (VRSA) strains with MICs ranging from 0.5 to 1.0 μg/mL. Albocycline exhibits no toxicity to human cells at concentration of ≤64 μg/mL[1].
CAS Number
25129-91-3
Product Name Alternative
Ingramycin
UNSPSC
12352005
Hazard Statement
H301
Target
Antibiotic; Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/albocycline.html
Smiles
O=C1O[C@H](C)[C@@H](C)CC/C=C(C)/[C@@H](OC)/C=C/[C@@](C)(O)/C=C/1
Molecular Formula
C18H28O4
Molecular Weight
308.41
Precautions
P264-P270-P330-P405-P501
References & Citations
[1]Daher SS, et al., Synthesis and biological evaluation of semi-synthetic albocycline analogs. Bioorg Med Chem Lett. 2020 Nov 1;30 (21) :127509.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Macrolide

Chemical Information

(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one

Albocycline is a macrolide.

CAS Number25129-91-3
PubChem CID6440973
IUPAC Name(3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
Molecular FormulaC18H28O4
Molecular Weight308.4
XLogP2.9
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity464
SMILES
C[C@H]1CC/C=C(/[C@H](/C=C/[C@@](/C=C/C(=O)O[C@@H]1C)(C)O)OC)\C
InChI
InChI=1S/C18H28O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-13,15-16,20H,6-7H2,1-5H3/b11-9+,12-10+,14-8+/t13-,15+,16-,18+/m0/s1
InChIKey
BYWWNDLILWPPJP-REXWONOSSA-N
Chemical Structure
2D Structure
2D structure of (3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one
CAS: 25129-91-3
CID: 6440973
Formula: C18H28O4
MW: 308.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass308.19875937
Monoisotopic Mass308.19875937
Topological Polar Surface Area55.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
441110-01Albocycline
TN9030-01Albocycline K3

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