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Linderane (Standard)

CAT: 0804-HY-N0688RSize: 1 EachDry Ice: NoHazardous: No
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Description
Linderane (Standard) is the analytical standard of Linderane. This product is intended for research and analytical applications. Linderane, isolated from the root of Lindera aggregata, is an irreversible inhibitor cytochrome P450 2C9 (CYP2C9) . Linderane has the potential to relieve pain and cramp[1].
CAS Number
13476-25-0
UNSPSC
12352005
Target
Cytochrome P450; Reference Standards
Type
Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/linderane-standard.html
Smiles
O=C(O[C@@]1([H])C2=C3OC=C2C)C4(CC/C=C(C)\C3)[C@@H]1O4
Molecular Formula
C15H16O4
Molecular Weight
260.29
References & Citations
[1]Wang H, et al. Mechanism-based inactivation of CYP2C9 by linderane. Xenobiotica. 2015;45 (12) :1037-46.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Linderane

Linderane is a member of dioxanes.

CAS Number13476-25-0
PubChem CID6915739
IUPAC Name(1S,4E,12S,13S)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.01,13.07,11]hexadeca-4,7(11),9-trien-15-one
Molecular FormulaC15H16O4
Molecular Weight260.28
XLogP1.9
Topological Polar Surface Area52
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity457
SMILES
C/C/1=C\CC[C@@]23[C@@H](O2)[C@H](C4=C(C1)OC=C4C)OC3=O
InChI
InChI=1S/C15H16O4/c1-8-4-3-5-15-13(19-15)12(18-14(15)16)11-9(2)7-17-10(11)6-8/h4,7,12-13H,3,5-6H2,1-2H3/b8-4+/t12-,13-,15-/m0/s1
InChIKey
KBMSVODXFLAQNJ-DXGHHDSJSA-N
Chemical Structure
2D Structure
2D structure of Linderane
CAS: 13476-25-0
CID: 6915739
Formula: C15H16O4
MW: 260.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.28
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass260.10485899
Monoisotopic Mass260.10485899
Topological Polar Surface Area52 Ų
Heavy Atom Count19
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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