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(S) -ar-Turmerone

CAT: 0024-sc-491935BSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-491935BSize:5 mg
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CAS Number
532-65-0

Chemical Information

(+)-Turmerone

(+)-(S)-ar-turmerone is a sesquiterpenoid that is 2-methylhept-2-en-4-one substituted by a 4-methylphenyl group at position 6. It has been isolated from Peltophorum dasyrachis. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a plant metabolite. It is a sesquiterpenoid and an enone.

CAS Number532-65-0
PubChem CID160512
IUPAC Name(6S)-2-methyl-6-(4-methylphenyl)hept-2-en-4-one
Molecular FormulaC15H20O
Molecular Weight216.32
XLogP4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity253
SMILES
CC1=CC=C(C=C1)[C@@H](C)CC(=O)C=C(C)C
InChI
InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13H,10H2,1-4H3/t13-/m0/s1
InChIKey
NAAJVHHFAXWBOK-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of (+)-Turmerone
CAS: 532-65-0
CID: 160512
Formula: C15H20O
MW: 216.32
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.32
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass216.151415257
Monoisotopic Mass216.151415257
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity253
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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