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2D Structure
Also known as: 84696-15-1, (e)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one;1-(4-hydroxy-3-methoxyphenyl)-5-methyldecan-3-one
Molecular Formula
C35H52O6
Molecular Weight
568.8  g/mol
InChI Key
QCVRFSPGUWEKFC-ILHSMLOTSA-N

Ginger Extract is an extract of the rhizome of the perennial plant Zingiber officinale with potential antineoplastic activity. Ginger extract contains a number of different phenolic compounds, some of which have displayed antineoplastic, anti-inflammatory, and antioxidant activities. This agent also exhibits antiemetic properties.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one;1-(4-hydroxy-3-methoxyphenyl)-5-methyldecan-3-one
2.1.2 InChI
InChI=1S/C18H28O3.C17H24O3/c1-4-5-6-7-14(2)12-16(19)10-8-15-9-11-17(20)18(13-15)21-3;1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h9,11,13-14,20H,4-8,10,12H2,1-3H3;7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b;8-7+
2.1.3 InChI Key
QCVRFSPGUWEKFC-ILHSMLOTSA-N
2.1.4 Canonical SMILES
CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC.CCCCCC(C)CC(=O)CCC1=CC(=C(C=C1)O)OC
2.1.5 Isomeric SMILES
CCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC.CCCCCC(C)CC(=O)CCC1=CC(=C(C=C1)O)OC
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Ginger Rhizome

2. Ginger Root

3. Rhizoma Zingiberis

4. Rhizoma Zingiberis Recens

5. Zingiberis Rhizoma

6. Zingiberis Rhizoma Praeparatum

7. Zingiberis Siccatum Rhizoma

2.2.2 Depositor-Supplied Synonyms

1. 84696-15-1

2. (e)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one;1-(4-hydroxy-3-methoxyphenyl)-5-methyldecan-3-one

2.3 Create Date
2006-06-06
3 Chemical and Physical Properties
Molecular Weight 568.8 g/mol
Molecular Formula C35H52O6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count19
Exact Mass568.37638937 g/mol
Monoisotopic Mass568.37638937 g/mol
Topological Polar Surface Area93.1 Ų
Heavy Atom Count41
Formal Charge0
Complexity589
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2