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Pinusolidic acid

CAT: 0804-HY-N3054Size: 1 EachDry Ice: NoHazardous: No
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Description
Pinusolidic acid is a platelet-activating factor (PAF) inhibitor with an IC50 of 23 μM[1].
CAS Number
40433-82-7
UNSPSC
12352005
Target
Platelet-activating Factor Receptor (PAFR)
Type
Natural Products
Related Pathways
GPCR/G Protein
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/pinusolidic-acid.html
Solubility
10 mM in DMSO
Smiles
C[C@@]12[C@](CCC([C@@H]2CCC3=CCOC3=O)=C)([H])[C@](C)(CCC1)C(O)=O
Molecular Formula
C20H28O4
Molecular Weight
332.43
References & Citations
[1]H O Yang, et al. Pinusolidic acid: a platelet-activating factor inhibitor from Biota orientalis. Planta Med. 1998 Feb;64 (1) :72-4.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Pinusolidic Acid

Pinusolidic acid is a diterpene lactone. It has a role as an anticoronaviral agent.

CAS Number40433-82-7
PubChem CID25880646
IUPAC Name(1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Molecular FormulaC20H28O4
Molecular Weight332.4
XLogP4.1
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity605
SMILES
C[C@]12CCC[C@]([C@@H]1CCC(=C)[C@@H]2CCC3=CCOC3=O)(C)C(=O)O
InChI
InChI=1S/C20H28O4/c1-13-5-8-16-19(2,10-4-11-20(16,3)18(22)23)15(13)7-6-14-9-12-24-17(14)21/h9,15-16H,1,4-8,10-12H2,2-3H3,(H,22,23)/t15-,16+,19+,20-/m0/s1
InChIKey
FHQSDRHZGCMBKG-FIYPYCPBSA-N
Chemical Structure
2D Structure
2D structure of Pinusolidic Acid
CAS: 40433-82-7
CID: 25880646
Formula: C20H28O4
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass332.19875937
Monoisotopic Mass332.19875937
Topological Polar Surface Area63.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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