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Arnebinol

CAT: 0931-T68481-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68481-01Size:25 mg
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CAS Number
87064-17-3
Target
Others
Related Pathways
Others
Bioactivity
Arnebinol has prostaglandin biosynthesis inhibitory activity.
Smiles
OC1=C2C=C(C=C1)OC\C(\C)=C\CC\C(\C)=C\C2
Molecular Formula
C16H20O2
Molecular Weight
244.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(4E,8E)-4,8-Dimethyl-2-oxabicyclo(9.3.1)pentadeca-1(15),4,8,11,13-pentaen-12-ol

Arnebinol is a member of phenols.

CAS Number87064-17-3
PubChem CID5281558
IUPAC Name(4E,8E)-4,8-dimethyl-2-oxabicyclo[9.3.1]pentadeca-1(15),4,8,11,13-pentaen-12-ol
Molecular FormulaC16H20O2
Molecular Weight244.33
XLogP3.4
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity330
SMILES
C/C/1=C\CC2=C(C=CC(=C2)OC/C(=C/CC1)/C)O
InChI
InChI=1S/C16H20O2/c1-12-4-3-5-13(2)11-18-15-8-9-16(17)14(10-15)7-6-12/h5-6,8-10,17H,3-4,7,11H2,1-2H3/b12-6+,13-5+
InChIKey
BSXTWYDVYNXVHH-YKNDAMCPSA-N
Chemical Structure
2D Structure
2D structure of (4E,8E)-4,8-Dimethyl-2-oxabicyclo(9.3.1)pentadeca-1(15),4,8,11,13-pentaen-12-ol
CAS: 87064-17-3
CID: 5281558
Formula: C16H20O2
MW: 244.33
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.33
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass244.146329876
Monoisotopic Mass244.146329876
Topological Polar Surface Area29.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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