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Aculene D

CAT: 0931-T75448-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T75448-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2043948-38-3
Target
Antibacterial, Endogenous Metabolite, Others
Related Pathways
Metabolism, Microbiology/Virology, Others
Bioactivity
Aculene D, a fungal metabolite, exhibits quorum sensing (QS) inhibitory effects on Chromobacterium violaceum CV026, significantly reducing violacein production in N-hexanoyl-l-homoserine lactone (C6-HSL) induced cultures of C. violaceum CV026 at sub-inhibitory concentrations [1].
Smiles
C[C@]12[C@@](C(CC)=CC1=O)(CC=C(C)C[C@@H]2O)[H]
Molecular Formula
C14H20O2
Molecular Weight
220.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Aculene D

Aculene D is a sesquiterpenoid that is (3aR)-4,7,8,8a-tetrahydroazulen-1(3aH)-one substituted by an ethyl, methyl, hydroxy and methyl groups at positions 3, 6, 8S, and 8aR, respectively. It is a fungal metabolite isolated from Penicillium sp. SCS-KFD08 and Aspergillus aculeatus. It has a role as a marine metabolite, an Aspergillus metabolite and a Penicillium metabolite. It is a sesquiterpenoid, a secondary alcohol and a carbobicyclic compound.

CAS Number2043948-38-3
PubChem CID146672910
IUPAC Name(3aR,8S,8aR)-3-ethyl-8-hydroxy-6,8a-dimethyl-3a,4,7,8-tetrahydroazulen-1-one
Molecular FormulaC14H20O2
Molecular Weight220.31
XLogP1.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity378
SMILES
CCC1=CC(=O)[C@@]2([C@@H]1CC=C(C[C@@H]2O)C)C
InChI
InChI=1S/C14H20O2/c1-4-10-8-13(16)14(3)11(10)6-5-9(2)7-12(14)15/h5,8,11-12,15H,4,6-7H2,1-3H3/t11-,12+,14-/m1/s1
InChIKey
IIQOUDJDCRTCJY-MBNYWOFBSA-N
Chemical Structure
2D Structure
2D structure of Aculene D
CAS: 2043948-38-3
CID: 146672910
Formula: C14H20O2
MW: 220.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.31
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass220.146329876
Monoisotopic Mass220.146329876
Topological Polar Surface Area37.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity378
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-N10193Aculene A
HY-N10192Aculene D

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