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Paneolilludinic acid

CAT: 0013-GTR19220398-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220398-01Size:5 mg
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Description
Paneolilludinic acid is a small molecule isolated from the endolichenic fungus Cryptomarasmius aucubae. It acts as a potent inhibitor of nitric oxide (NO) production, making it a valuable research tool for studying inflammatory pathways and related diseases in both cellular and animal models.
CAS Number
847586-20-3
Field of Research
Immunology & Inflammation
Smiles
C[C@@]1 (O) C2 (C (C) =C3[C@] (C1) (C[C@@] (C (O) =O) (C) C3) [H]) CC2
Molecular Formula
C15H22O3
Molecular Weight
250.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Paneolilludinic acid

Paneolilludinic acid is a sesquiterpenoid.

CAS Number847586-20-3
PubChem CID11482094
IUPAC Name(2S,3aS,5S)-5-hydroxy-2,5,7-trimethylspiro[1,3,3a,4-tetrahydroindene-6,1'-cyclopropane]-2-carboxylic acid
Molecular FormulaC15H22O3
Molecular Weight250.33
XLogP1.1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity460
SMILES
CC1=C2C[C@@](C[C@H]2C[C@](C13CC3)(C)O)(C)C(=O)O
InChI
InChI=1S/C15H22O3/c1-9-11-8-13(2,12(16)17)6-10(11)7-14(3,18)15(9)4-5-15/h10,18H,4-8H2,1-3H3,(H,16,17)/t10-,13-,14-/m0/s1
InChIKey
KPHPOAIUDVWBRH-BPNCWPANSA-N
Chemical Structure
2D Structure
2D structure of Paneolilludinic acid
CAS: 847586-20-3
CID: 11482094
Formula: C15H22O3
MW: 250.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.33
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass250.15689456
Monoisotopic Mass250.15689456
Topological Polar Surface Area57.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity460
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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