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Cajucarinolide

CAT: 0931-T23847-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23847-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147742-03-8
Target
Others
Related Pathways
Others
Bioactivity
Cajucarinolide is a clerodane diterpene. It inhibits bee venom phospholipase A2 in vitro. Cajucarinolide possesses anti-inflammatory activity.
Smiles
O=C1OC(O)C=C1C2OC(=O)C3(C2)C(C)CCC4C(=CC(=O)CC43)C
Molecular Formula
C19H22O6
Molecular Weight
346.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cajucarinolide

See also: Cajucarinolide (annotation moved to).

CAS Number147742-03-8
PubChem CID3035811
IUPAC Name5'-(2-hydroxy-5-oxo-2H-furan-4-yl)-4,7-dimethylspiro[1,4a,5,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-2,2'-dione
Molecular FormulaC19H22O6
Molecular Weight346.4
XLogP1.2
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity719
SMILES
CC1CCC2C(C13CC(OC3=O)C4=CC(OC4=O)O)CC(=O)C=C2C
InChI
InChI=1S/C19H22O6/c1-9-5-11(20)6-14-12(9)4-3-10(2)19(14)8-15(24-18(19)23)13-7-16(21)25-17(13)22/h5,7,10,12,14-16,21H,3-4,6,8H2,1-2H3
InChIKey
KDHLKFOOPWLPCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cajucarinolide
CAS: 147742-03-8
CID: 3035811
Formula: C19H22O6
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass346.14163842
Monoisotopic Mass346.14163842
Topological Polar Surface Area89.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity719
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-119627Cajucarinolide

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