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Homoembelin

CAT: 0804-HY-N8221Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N8221Size:1 Each
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Description
Homoembelin is an antimicrobial compound and has the potential for MDR bacterial infection research[1].
CAS Number
38363-99-4
UNSPSC
12352211
Target
Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/homoembelin.html
Solubility
10 mM in DMSO
Smiles
O=C1C(O)=C(CCCCCCCCC)C(C(O)=C1)=O
Molecular Formula
C15H22O4
Molecular Weight
266.33
References & Citations
[1]Leonidah K Omosa, et al. Antibacterial activities and structure-activity relationships of a panel of 48 compounds from Kenyan plants against multidrug resistant phenotypes. Springerplus. 2016 Jun 27;5 (1) :901.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Homoembelin
CAS Number38363-99-4
PubChem CID4460091
IUPAC Name2,5-dihydroxy-3-nonylcyclohexa-2,5-diene-1,4-dione
Molecular FormulaC15H22O4
Molecular Weight266.33
XLogP4.3
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity404
SMILES
CCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
InChI
InChI=1S/C15H22O4/c1-2-3-4-5-6-7-8-9-11-14(18)12(16)10-13(17)15(11)19/h10,16,19H,2-9H2,1H3
InChIKey
VEDJQIBXAVLFEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Homoembelin
CAS: 38363-99-4
CID: 4460091
Formula: C15H22O4
MW: 266.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.33
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass266.15180918
Monoisotopic Mass266.15180918
Topological Polar Surface Area74.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M32027-01Homoembelin

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