Salvial-4(14)-en-1-one

Salvial-4(14)-en-1-one
Compound Structure:
Synonyms: Salvial-4(14)-en-1-one; Mintketone; BDR15C4EYD; 4(14)-Salvialene-1-one ;UNII-BDR15C4EYD
Compound ID: NMPC-1464
PubChem ID:

42608172
Molecular Formula: C15H24O
Canonical SMILES: CC(C)C1CCC2(C1CC(=C)CCC2=O)C
InChIKey: JBOONPKUPONSIB-KCQAQPDRSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

220.35 g/mol

XLogP3-AA

3.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

220.182715385 g/mol

Monoisotopic Mass

220.182715385 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

315

Isotope Atom Count

0

Defined Atom Stereocenter Count

3

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: Tithonia rotundifolia
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