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CHEBI:27017 - desmethyl tocotrienol
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ChEBI Name
desmethyl tocotrienol
ChEBI ID
CHEBI:27017
Definition
A tocotrienol that is chroman-6-ol substituted by a methyl group at position 2 and a farnesyl group at position 2.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C26H38O2
Net Charge
0
Average Mass
382.57872
Monoisotopic Mass
382.28718
InChI
InChI=1S/C26H38O2/c1-
20(2)
9-
6-
10-
21(3)
11-
7-
12-
22(4)
13-
8-
17-
26(5)
18-
16-
23-
19-
24(27)
14-
15-
25(23)
28-
26/h9,11,13-
15,19,27H,6-
8,10,12,16-
18H2,1-
5H3/b21-
11+,22-
13+/t26-
/m1/s1
InChIKey
GJJVAFUKOBZPCB-HQLRYZJNSA-N
SMILES
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@]1(C)CCc2cc(O)ccc2O1
Roles Classification
Chemical Role
(s):
antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
(via
tocol
)
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
desmethyl tocotrienol (
CHEBI:27017
)
has role
plant metabolite (
CHEBI:76924
)
desmethyl tocotrienol (
CHEBI:27017
)
is a
tocotrienol (
CHEBI:33235
)
IUPAC Name
(2
R
)-
2-
methyl-
2-
[(3
E
,7
E
)-
4,8,12-
trimethyltrideca-
3,7,11-
trien-
1-
yl]-
3,4-
dihydro-
2
H
-
chromen-
6-
ol
Synonym
Source
3,4-
dihydro-
2-
methyl-
2-
(4,8,12-
trimethyltrideca-
3'(
E
),7'(
E
),11'-
trienyl)-
2
H
-
1-
benzopyran-
6-
ol
ChEBI
Registry Numbers
Types
Sources
8729806
Reaxys Registry Number
Reaxys
8729806
Beilstein Registry Number
Beilstein
Citation
Type
Source
10956081
PubMed citation
Europe PMC
Last Modified
29 May 2014
General Comment
2005-11-22
See: Qureshi, A.A., Mo, H., Packer, L. and Peterson, D.M. (2000) Isolation and identification of novel tocotrienols from rice bran with hypocholesterolemic, antioxidant, and antitumor properties. J. Agric. Food Chem. 48, 3130-3140. [PMID:10956081]