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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:2507 - afzelechin
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ChEBI Ontology
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ChEBI Name
afzelechin
ChEBI ID
CHEBI:2507
Definition
A tetrahydroxyflavan that is (2
S
)-flavan substituted by hydroxy groups at positions 3, 5, 7 and 4' respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H14O5
Net Charge
0
Average Mass
274.26870
Monoisotopic Mass
274.08412
InChI
InChI=1S/C15H14O5/c16-
9-
3-
1-
8(2-
4-
9)
15-
13(19)
7-
11-
12(18)
5-
10(17)
6-
14(11)
20-
15/h1-
6,13,15-
19H,7H2/t13-
,15+/m0/s1
InChIKey
RSYUFYQTACJFML-DZGCQCFKSA-N
SMILES
O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1
Metabolite of Species
Details
Bergenia ligulata
(NCBI:txid1523242)
See:
PubMed
Roles Classification
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.
EC 3.2.1.20 (alpha-glucosidase) inhibitor
An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of
alpha
-glucosidase (EC 3.2.1.20).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
afzelechin (
CHEBI:2507
)
has parent hydride
(2
S
)-flavan (
CHEBI:36103
)
afzelechin (
CHEBI:2507
)
has role
EC 3.2.1.20 (α-glucosidase) inhibitor (
CHEBI:67239
)
afzelechin (
CHEBI:2507
)
has role
plant metabolite (
CHEBI:76924
)
afzelechin (
CHEBI:2507
)
is a
catechin (
CHEBI:23053
)
afzelechin (
CHEBI:2507
)
is a
tetrahydroxyflavan (
CHEBI:72011
)
Incoming
afzelechin-(4α→8)-afzelechin (
CHEBI:2508
)
has functional parent
afzelechin (
CHEBI:2507
)
IUPAC Name
(2
R
,3
S
)-2-(4-hydroxyphenyl)-3,4-dihydro-2
H
-1-benzopyran-3,5,7-triol
Synonyms
Sources
(+)-afzelechin
ChemIDplus
3,5,7,4'-Tetrahydroxyflavan
KEGG COMPOUND
Manual Xrefs
Databases
C00000937
KNApSAcK
C09320
KEGG COMPOUND
HMDB0030823
HMDB
LMPK12020035
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2545-00-8
CAS Registry Number
ChemIDplus
5347250
Reaxys Registry Number
Reaxys
Citations
Types
Sources
18622126
PubMed citation
Europe PMC
24671565
PubMed citation
Europe PMC
25575669
PubMed citation
Europe PMC
25920219
PubMed citation
Europe PMC
Last Modified
15 June 2015