Ginger extract

Synopsis, Chemistry

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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

Ginger extract

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 Formula	C₃₅H₅₂O₆
Molecular Weight	568.8 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	19
Exact Mass	568.37638937 g/mol
Monoisotopic Mass	568.37638937 g/mol
Topological Polar Surface Area	93.1 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	589
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2