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> Main
CHEBI:17965 - isoorientin
Main
ChEBI Ontology
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ChEBI Name
isoorientin
ChEBI ID
CHEBI:17965
Definition
A flavone
C
-glycoside consisting of luteolin having a β-
D
-glucosyl residue at the 6-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:14471, CHEBI:6034, CHEBI:24905
Supplier Information
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Read full article at Wikipedia
Formula
C21H20O11
Net Charge
0
Average Mass
448.37690
Monoisotopic Mass
448.10056
InChI
InChI=1S/C21H20O11/c22-
6-
14-
17(27)
19(29)
20(30)
21(32-
14)
16-
11(26)
5-
13-
15(18(16)
28)
10(25)
4-
12(31-
13)
7-
1-
2-
8(23)
9(24)
3-
7/h1-
5,14,17,19-
24,26-
30H,6H2/t14-
,17-
,19+,20-
,21+/m1/s1
InChIKey
ODBRNZZJSYPIDI-VJXVFPJBSA-N
SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
Metabolite of Species
Details
Petrorhagia velutina
(NCBI:txid308175)
Found in leaf
(BTO:0000713)
. Methanolic extract of dried leaf and root See:
PubMed
Petrorhagia velutina
(NCBI:txid308175)
Found in root
(BTO:0001188)
. Methanolic extract of dried leaf and root See:
PubMed
Sasa borealis
(NCBI:txid591242)
See:
PubMed
Roles Classification
Chemical Role
(s):
radical scavenger
A role played by a substance that can react readily with, and thereby eliminate, radicals.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
isoorientin (
CHEBI:17965
)
has functional parent
luteolin (
CHEBI:15864
)
isoorientin (
CHEBI:17965
)
has role
antineoplastic agent (
CHEBI:35610
)
isoorientin (
CHEBI:17965
)
has role
radical scavenger (
CHEBI:48578
)
isoorientin (
CHEBI:17965
)
is a
flavone
C
-glycoside (
CHEBI:83280
)
isoorientin (
CHEBI:17965
)
is a
tetrahydroxyflavone (
CHEBI:38684
)
isoorientin (
CHEBI:17965
)
is conjugate acid of
isoorientin(1−) (
CHEBI:58333
)
Incoming
3''-oxohomoorientin(2−) (
CHEBI:229565
)
has functional parent
isoorientin (
CHEBI:17965
)
7-
O
-(6-feruoylglucosyl)isoorientin (
CHEBI:75517
)
has functional parent
isoorientin (
CHEBI:17965
)
7-
O
-(6-sinapoylglucosyl)isoorientin (
CHEBI:75516
)
has functional parent
isoorientin (
CHEBI:17965
)
7-
O
-[α-
L
-rhamnosyl-(1→2)-β-
D
-glucosyl]isoorientin (
CHEBI:75515
)
has functional parent
isoorientin (
CHEBI:17965
)
isoorientin 2''-
O
-glucoside (
CHEBI:131779
)
has functional parent
isoorientin (
CHEBI:17965
)
isoorientin 2''-
O
-rhamnoside (
CHEBI:28596
)
has functional parent
isoorientin (
CHEBI:17965
)
isoorientin 7,3'-dimethyl ether (
CHEBI:131792
)
has functional parent
isoorientin (
CHEBI:17965
)
isoorientin 7-
O
-glucoside (
CHEBI:75514
)
has functional parent
isoorientin (
CHEBI:17965
)
swertiajaponin (
CHEBI:9369
)
has functional parent
isoorientin (
CHEBI:17965
)
isoorientin(1−) (
CHEBI:58333
)
is conjugate base of
isoorientin (
CHEBI:17965
)
IUPAC Name
(1
S
)-
1,5-
anhydro-
1-
[2-
(3,4-
dihydroxyphenyl)-
5,7-
dihydroxy-
4-
oxo-
4
H
-
chromen-
6-
yl]-
D
-
glucitol
Synonyms
Sources
2-
(3,4-
dihydroxyphenyl)-
6-
β-
D
-
glucopyranosyl-
5,7-
dihydroxy-
4
H
-
1-
benzopyran-
4-
one
ChEBI
Homoorientin
ChemIDplus
Isoorientin
KEGG COMPOUND
Luteolin-6-
C
-β-
D
-glucoside
ChEBI
Manual Xrefs
Databases
C00001055
KNApSAcK
C01821
KEGG COMPOUND
Isoorientin
Wikipedia
LMPK12110469
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
4261-42-1
CAS Registry Number
KEGG COMPOUND
4261-42-1
CAS Registry Number
ChemIDplus
68256
Reaxys Registry Number
Reaxys
Citations
Types
Sources
21080643
PubMed citation
Europe PMC
22529049
PubMed citation
Europe PMC
22948221
PubMed citation
Europe PMC
22980875
PubMed citation
Europe PMC
23026832
PubMed citation
Europe PMC
23220614
PubMed citation
Europe PMC
Last Modified
18 November 2016