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Arisugacin F

CAT: 0804-HY-N13926Size: 1 EachDry Ice: NoHazardous: No
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Description
Arisugacin F, a microbial metabolite, is a structural analog of Arisugacin A. Arisugacin F shows no activity against AChE[1].
CAS Number
261951-44-4
UNSPSC
12352005
Target
Cholinesterase (ChE)
Related Pathways
Neuronal Signaling
Field of Research
Neurological Disease
Smiles
C[C@@]12[C@]3([H])[C@](OC4=C(C(OC(C5=CC=C(C=C5)OC)=C4)=O)C3)(CC[C@@]1([H])C(C)([C@H](CC2)O)C)C
Molecular Formula
C27H34O5
Molecular Weight
438.56
References & Citations
[1]Ziyad F Al-Rashid, et al. A computational view on the significance of E-ring in binding of (+) -arisugacin A to acetylcholinesterase. Bioorg Med Chem Lett. 2015 Nov 1;25 (21) :4848-4853.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Arisugacin F

Arisugacin F is an organic heterotricyclic compound and an organooxygen compound.

CAS Number261951-44-4
PubChem CID10836763
IUPAC Name(1R,2S,5S,7R,10R)-5-hydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-16-one
Molecular FormulaC27H34O5
Molecular Weight438.6
XLogP5.1
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity848
SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC4=C(O3)C=C(OC4=O)C5=CC=C(C=C5)OC)C)(C)C)O
InChI
InChI=1S/C27H34O5/c1-25(2)21-10-13-27(4)22(26(21,3)12-11-23(25)28)14-18-20(32-27)15-19(31-24(18)29)16-6-8-17(30-5)9-7-16/h6-9,15,21-23,28H,10-14H2,1-5H3/t21-,22+,23-,26-,27+/m0/s1
InChIKey
ZAYVSCMOIFKFEU-KCXTWHPGSA-N
Chemical Structure
2D Structure
2D structure of Arisugacin F
CAS: 261951-44-4
CID: 10836763
Formula: C27H34O5
MW: 438.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.6
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass438.24062418
Monoisotopic Mass438.24062418
Topological Polar Surface Area65 Ų
Heavy Atom Count32
Formal Charge0
Complexity848
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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