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Ayanin

CAT: 0931-TN1416-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1416-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
572-32-7
Target
IL Receptor, Cytochromes P450, PARP, PDE
Related Pathways
Metabolism, Immunology/Inflammation, DNA Damage/DNA Repair, Chromatin/Epigenetic
Purity
0.9965
Bioactivity
Ayanin has vasorelaxant activity, it also may have the potential for use in treating allergic asthma. The IC50 value of Ayanin is 2.2microM for inhibiting interleukin IL-4 production from purified basophils. Ayanin is a non-selective phosphodiesterase1-4 inhibitor and can be used for respiratory disease researches.
Smiles
COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O
Molecular Formula
C18H16O7
Molecular Weight
344.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ayanin

3',5-dihydroxy-3,4',7-trimethoxyflavone is a trimethoxyflavone that is quercetin in which the hydroxy groups at positions 3, 4' and 7 have been replaced by methoxy groups. It has a role as a plant metabolite. It is a trimethoxyflavone and a dihydroxyflavone. It is functionally related to a quercetin. It is a conjugate acid of a 3',5-dihydroxy-3,4',7-trimethoxyflavone(1-).

CAS Number572-32-7
PubChem CID5280682
IUPAC Name5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxychromen-4-one
Molecular FormulaC18H16O7
Molecular Weight344.3
XLogP3.1
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity532
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)O
InChI
InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3
InChIKey
KPCRYSMUMBNTCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ayanin
CAS: 572-32-7
CID: 5280682
Formula: C18H16O7
MW: 344.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.3
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass344.08960285
Monoisotopic Mass344.08960285
Topological Polar Surface Area94.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity532
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

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