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Cochliomycin A

CAT: 0013-GTR19266387-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266387-02Size:10 mg
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Description
Cochliomycin A ((+) -Cochliomycin A) is a compound isolated from the fungus derived from the coral species, Cochliobolus lunatus. It exhibits antifouling activity with an EC50 of 1.2 μg/mL by inhibiting barnacle larval attachment via activation of the NO/cGMP pathway. Additionally, Cochliomycin A shows moderate antibacterial properties against Staphylococcus aureus (S. aureus) .
CAS Number
1278520-07-2
Field of Research
Infectious Disease & Virology
Smiles
OC1=C2C (=CC (OC) =C1) /C=C/C[C@H] (O) [C@]3 ([C@] (\C=C\C[C@H] (C) OC2=O) (OC (C) (C) O3) [H]) [H]
Molecular Formula
C22H28O7
Molecular Weight
404.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cochliomycin A, (rel)-

Cochliomycin A, (rel)- is a macrolide. It has a role as a metabolite.

CAS Number1278520-07-2
PubChem CID52952745
IUPAC Name(2E,5S,6S,10S,11E,14S)-5,18-dihydroxy-20-methoxy-8,8,14-trimethyl-7,9,15-trioxatricyclo[15.4.0.06,10]henicosa-1(17),2,11,18,20-pentaen-16-one
Molecular FormulaC22H28O7
Molecular Weight404.5
XLogP3.8
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count29
Formal Charge0
Complexity629
SMILES
C[C@H]1C/C=C/[C@H]2[C@H]([C@H](C/C=C/C3=C(C(=CC(=C3)OC)O)C(=O)O1)O)OC(O2)(C)C
InChI
InChI=1S/C22H28O7/c1-13-7-5-10-18-20(29-22(2,3)28-18)16(23)9-6-8-14-11-15(26-4)12-17(24)19(14)21(25)27-13/h5-6,8,10-13,16,18,20,23-24H,7,9H2,1-4H3/b8-6+,10-5+/t13-,16-,18-,20-/m0/s1
InChIKey
JMSMAQNHTBWNAJ-PRPVSCSDSA-N
Chemical Structure
2D Structure
2D structure of Cochliomycin A, (rel)-
CAS: 1278520-07-2
CID: 52952745
Formula: C22H28O7
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass404.18350323
Monoisotopic Mass404.18350323
Topological Polar Surface Area94.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity629
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
GTR19256286-01Cochleamycin A

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