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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:3594 - chicoric acid
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ChEBI Name
chicoric acid
ChEBI ID
CHEBI:3594
Stars
This entity has been manually annotated by a third party.
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Formula
C22H18O12
Net Charge
0
Average Mass
474.374
Monoisotopic Mass
474.07983
InChI
InChI=1S/C22H18O12/c23-
13-
5-
1-
11(9-
15(13)
25)
3-
7-
17(27)
33-
19(21(29)
30)
20(22(31)
32)
34-
18(28)
8-
4-
12-
2-
6-
14(24)
16(26)
10-
12/h1-
10,19-
20,23-
26H,(H,29,30)
(H,31,32)
/b7-
3+,8-
4+/t19-
,20-
/m1/s1
InChIKey
YDDGKXBLOXEEMN-IABMMNSOSA-N
SMILES
OC(=O)[C@H](OC(=O)\C=C\C1=CC=C(O)C(O)=C1)[C@@H](OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O
Roles Classification
Biological Role
(s):
HIV-1 integrase inhibitor
An inhibitor of HIV-1 integrase, an enzyme required for the integration of the genetic material of the retrovirus into the DNA of the infected cells.
Application
(s):
geroprotector
Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
chicoric acid (
CHEBI:3594
)
has functional parent
tetracarboxylic acid (
CHEBI:35742
)
chicoric acid (
CHEBI:3594
)
has role
geroprotector (
CHEBI:176497
)
chicoric acid (
CHEBI:3594
)
has role
HIV-1 integrase inhibitor (
CHEBI:67268
)
chicoric acid (
CHEBI:3594
)
is a
organooxygen compound (
CHEBI:36963
)
IUPAC Name
(2
R
,3
R
)-2,3-bis{[(2
E
)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid
Synonyms
Sources
Chicoric acid
KEGG COMPOUND
dicaffeoyltartaric acid
ChEBI
Manual Xrefs
Databases
C00002723
KNApSAcK
C10437
KEGG COMPOUND
Cichoric_acid
Wikipedia
FDB012144
FooDB
GKP
PDBeChem
HMDB0002375
HMDB
View more database links
Registry Number
Type
Source
70831-56-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
24244361
PubMed citation
Europe PMC
30251662
PubMed citation
Europe PMC
8692814
PubMed citation
Europe PMC
Last Modified
23 September 2021
General Comment
2021-09-23
The CAS number 6537-80-0 belongs to chicoric acid in which the double bond configurations are unspecified.