ar-Turmerone

ar-Turmerone
Compound Structure:
Synonyms: ar-Turmerone;532-65-0;(+)-(S)-ar-turmerone;(+)-ar-Turmerone;(6S)-2-methyl-6-(4-methylphenyl)hept-2-en-4-one;(S)-ar-Turmerone;2-Hepten-4-one, 2-methyl-6-(4-methylphenyl)-, (S)-;2-Hepten-4-one, 2-methyl-6-(4-methylphenyl)-, (6S)-
Compound ID: NMPC-597
PubChem ID:

160512
Molecular Formula: C15H20O
Canonical SMILES: CC1=CC=C(C=C1)C(C)CC(=O)C=C(C)C
InChIKey: NAAJVHHFAXWBOK-ZDUSSCGKSA-N
About the compound:

(+)-(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.

GHS Hazard Statements

• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

216.32 g/mol

XLogP3-AA

4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

4

Exact Mass

216.151415257 g/mol

Monoisotopic Mass

216.151415257 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

253

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Annona reticulata
Araucaria cunninghamii
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