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Isolinderalactone

CAT: 0931-T8213-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T8213-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
957-66-4
Target
STAT, NOS, Apoptosis, Bcl-2 Family, VEGFR, NF-κB, Caspase, Survivin, IAP
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors, JAK/STAT signaling, Proteases/Proteasome, Apoptosis, Immunology/Inflammation, NF-κB, Stem Cells
Purity
0.9962
Bioactivity
Isolinderalactone shows anti-inflammatory and anticancer capacity, and it exhibits moderate iNOS inhibitory activity, with the IC50 value of 0.30 uM.
Smiles
[H][C@@]12OC(=O)C(=C)[C@]1([H])[C@](C)(Cc1occ(C)c21)C=C
Molecular Formula
C15H16O3
Molecular Weight
244.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isolinderalactone

Isolinderalactone is a member of benzofurans. It has a role as a metabolite.

CAS Number957-66-4
PubChem CID5318587
IUPAC Name(3aS,4R,8bR)-4-ethenyl-4,8-dimethyl-3-methylidene-5,8b-dihydro-3aH-furo[2,3-e][1]benzofuran-2-one
Molecular FormulaC15H16O3
Molecular Weight244.28
XLogP3
Topological Polar Surface Area39.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity427
SMILES
CC1=COC2=C1[C@H]3[C@H](C(=C)C(=O)O3)[C@@](C2)(C)C=C
InChI
InChI=1S/C15H16O3/c1-5-15(4)6-10-11(8(2)7-17-10)13-12(15)9(3)14(16)18-13/h5,7,12-13H,1,3,6H2,2,4H3/t12-,13-,15-/m0/s1
InChIKey
VXZIFOKTSURLNL-YDHLFZDLSA-N
Chemical Structure
2D Structure
2D structure of Isolinderalactone
CAS: 957-66-4
CID: 5318587
Formula: C15H16O3
MW: 244.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight244.28
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass244.109944368
Monoisotopic Mass244.109944368
Topological Polar Surface Area39.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity427
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes