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7-hydroxycoumarinyl-γ-Linolenate

CAT: 0931-T37855Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T37855Size:1 mg
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CAS Number
161180-12-7
Target
Others, Phospholipase
Related Pathways
Others, Metabolism
Bioactivity
7-hydroxycoumarinyl-γ-Linolenate is a substrate for cytoplasmic phospholipase A2 (cPLA2), which shows cPLA2α enzymatic activity through hydrolysis of 7-hydroxycoumarinyl-γ-linolenate.
Smiles
O(C(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)C=1C=C2C(=CC1)C=CC(=O)O2
Molecular Formula
C27H34O4
Molecular Weight
422.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6,9,12-Octadecatrienoic acid, 2-oxo-2H-1-benzopyran-7-yl ester, (Z,Z,Z)-

7-hydroxycoumarinyl-gamma-linolenate is a member of coumarins and an octadecanoid.

CAS Number161180-12-7
PubChem CID91746434
IUPAC Name(2-oxochromen-7-yl) (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Molecular FormulaC27H34O4
Molecular Weight422.6
XLogP7.8
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count31
Formal Charge0
Complexity644
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC1=CC2=C(C=C1)C=CC(=O)O2
InChI
InChI=1S/C27H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(28)30-24-20-18-23-19-21-27(29)31-25(23)22-24/h6-7,9-10,12-13,18-22H,2-5,8,11,14-17H2,1H3/b7-6-,10-9-,13-12-
InChIKey
LPIXSKJJCANUQD-QNEBEIHSSA-N
Chemical Structure
2D Structure
2D structure of 6,9,12-Octadecatrienoic acid, 2-oxo-2H-1-benzopyran-7-yl ester, (Z,Z,Z)-
CAS: 161180-12-7
CID: 91746434
Formula: C27H34O4
MW: 422.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight422.6
XLogP37.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass422.24570956
Monoisotopic Mass422.24570956
Topological Polar Surface Area52.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes