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Dihydrocapsiate

CAT: 0931-T60741-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T60741-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
205687-03-2
Target
Others, TRP/TRPV Channel
Related Pathways
Membrane transporter/Ion channel, Others
Bioactivity
Dihydrocapsiate is a compound of capsinoid family that can be used in metabolism diseas research. Dihydrocapsiate is an orally active agonist of TRPV1 [1].
Smiles
COc1cc(COC(=O)CCCCCCC(C)C)ccc1O
Molecular Formula
C18H28O4
Molecular Weight
308.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dihydrocapsiate

Dihydrocapsiate is a member of phenols and a member of methoxybenzenes.

CAS Number205687-03-2
PubChem CID9873754
IUPAC Name(4-hydroxy-3-methoxyphenyl)methyl 8-methylnonanoate
Molecular FormulaC18H28O4
Molecular Weight308.4
XLogP5
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count22
Formal Charge0
Complexity303
SMILES
CC(C)CCCCCCC(=O)OCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C18H28O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h10-12,14,19H,4-9,13H2,1-3H3
InChIKey
RBCYRZPENADQGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dihydrocapsiate
CAS: 205687-03-2
CID: 9873754
Formula: C18H28O4
MW: 308.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.4
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass308.19875937
Monoisotopic Mass308.19875937
Topological Polar Surface Area55.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity303
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
BA7064-5Dihydrocapsiate
CS-T-103638Dihydrocapsiate-d3
HY-124073RDihydrocapsiate (Standard)

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