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Dasycarpol

CAT: 0931-TN3771Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3771Size:5 mg
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CAS Number
202343-57-5
Target
Others
Related Pathways
Others
Bioactivity
Dasycarpol (9beta-Hydroxyfraxinellone) shows significant neuroprotective activity against glutamate-induced neurotoxicity in primary cultures of rat cortical cells at a concentration of 0.1 microM. Dasycarpol also shows moderate inhibitory activity on lung cancer cell line A549.
Smiles
CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@@H]1O
Molecular Formula
C14H16O4
Molecular Weight
248.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

9Beta-Hydroxyfraxinellone
CAS Number202343-57-5
PubChem CID478833
IUPAC Name(3R,3aR,6S)-3-(furan-3-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
Molecular FormulaC14H16O4
Molecular Weight248.27
XLogP1.2
Topological Polar Surface Area59.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity414
SMILES
CC1=C2C(=O)O[C@H]([C@@]2(CC[C@@H]1O)C)C3=COC=C3
InChI
InChI=1S/C14H16O4/c1-8-10(15)3-5-14(2)11(8)13(16)18-12(14)9-4-6-17-7-9/h4,6-7,10,12,15H,3,5H2,1-2H3/t10-,12-,14+/m0/s1
InChIKey
ZCEUBPHEBYXFLM-VHRBIJSZSA-N
Chemical Structure
2D Structure
2D structure of 9Beta-Hydroxyfraxinellone
CAS: 202343-57-5
CID: 478833
Formula: C14H16O4
MW: 248.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight248.27
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass248.10485899
Monoisotopic Mass248.10485899
Topological Polar Surface Area59.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity414
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

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