Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:156327 - pectolinarin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
pectolinarin
ChEBI ID
CHEBI:156327
Definition
A disaccharide derivative that consists of pectolinarigenin substituted by a 6-
O
-(6-deoxy-α-
L
-mannopyranosyl)-β-
D
-glucopyranosyl moiety at position 7 via a glycosidic linkage.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Margaret Duesbury
Secondary ChEBI IDs
CHEBI:109534
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formula
C29H34O15
Net Charge
0
Average Mass
622.576
Monoisotopic Mass
622.18977
InChI
InChI=1S/C29H34O15/c1-
11-
20(31)
23(34)
25(36)
28(41-
11)
40-
10-
18-
21(32)
24(35)
26(37)
29(44-
18)
43-
17-
9-
16-
19(22(33)
27(17)
39-
3)
14(30)
8-
15(42-
16)
12-
4-
6-
13(38-
2)
7-
5-
12/h4-
9,11,18,20-
21,23-
26,28-
29,31-
37H,10H2,1-
3H3/t11-
,18+,20-
,21+,23+,24-
,25+,26+,28+,29+/m0/s1
InChIKey
DUXQKCCELUKXOE-CBBZIXHGSA-N
SMILES
COC1=CC=C(C=C1)
C1=CC(=O)
C2=C(O)
C(OC)
=C(O[C@@H]
3O[C@H]
(CO[C@@H]
4O[C@@H]
(C)
[C@H]
(O)
[C@@H]
(O)
[C@H]
4O)
[C@@H]
(O)
[C@H]
(O)
[C@H]
3O)
C=C2O1
Metabolite of Species
Details
Linaria scariosa
(IPNI:804939-1)
Found in aerial part
(BTO:0001658)
. See:
PubMed
Linaria reflexa
(NCBI:txid1070263)
Found in aerial part
(BTO:0001658)
. See:
PubMed
Lippia rubella
(NCBI:txid320356)
See:
PubMed
Trollius ledebouri
(NCBI:txid46346)
See:
PubMed
Cirsium japonicum
(NCBI:txid516546)
See:
PubMed
Cirsium setidens
(NCBI:txid859427)
See:
PubMed
Roles Classification
Chemical Role
(s):
antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role
(s):
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
An EC 3.4.22.* (cysteine endopeptidase) inhibitor that interferes with the action of SARS coronavirus main proteinase (EC 3.4.22.69).
Application
(s):
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
pectolinarin (
CHEBI:156327
)
has functional parent
pectolinarigenin (
CHEBI:81336
)
pectolinarin (
CHEBI:156327
)
has role
anti-inflammatory agent (
CHEBI:67079
)
pectolinarin (
CHEBI:156327
)
has role
antineoplastic agent (
CHEBI:35610
)
pectolinarin (
CHEBI:156327
)
has role
antioxidant (
CHEBI:22586
)
pectolinarin (
CHEBI:156327
)
has role
apoptosis inducer (
CHEBI:68495
)
pectolinarin (
CHEBI:156327
)
has role
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor (
CHEBI:147285
)
pectolinarin (
CHEBI:156327
)
has role
plant metabolite (
CHEBI:76924
)
pectolinarin (
CHEBI:156327
)
is a
dimethoxyflavone (
CHEBI:23798
)
pectolinarin (
CHEBI:156327
)
is a
disaccharide derivative (
CHEBI:63353
)
pectolinarin (
CHEBI:156327
)
is a
glycosyloxyflavone (
CHEBI:50018
)
pectolinarin (
CHEBI:156327
)
is a
monohydroxyflavanone (
CHEBI:38748
)
pectolinarin (
CHEBI:156327
)
is a
rutinoside (
CHEBI:26587
)
IUPAC Name
5-
hydroxy-
6-
methoxy-
2-
(4-
methoxyphenyl)-
4-
oxo-
4
H
-
chromen-
7-
yl 6-
O
-
(6-
deoxy-
α-
L
-
mannopyranosyl)-
β-
D
-
glucopyranoside
Synonyms
Sources
5-
hydroxy-
6-
methoxy-
2-
(4-
methoxyphenyl)-
4-
oxo-
4
H
-
1-
benzopyran-
7-
yl 6-
O
-
(6-
deoxy-
α-
L
-
mannopyranosyl)-
β-
D
-
glucopyranoside
IUPAC
pectolinarigenin-7-
O
-rutinoside
ChEBI
Manual Xrefs
Databases
LSM-20935
LINCS
Pectolinarin
Wikipedia
View more database links
Registry Number
Type
Source
28978-02-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
28032514
PubMed citation
Europe PMC
28851651
PubMed citation
Europe PMC
29668849
PubMed citation
Europe PMC
29781217
PubMed citation
Europe PMC
30817148
PubMed citation
Europe PMC
31020684
PubMed citation
Europe PMC
31215236
PubMed citation
Europe PMC
31724441
PubMed citation
Europe PMC
32121091
PubMed citation
Europe PMC
32210815
PubMed citation
Europe PMC
32708783
PubMed citation
Europe PMC
32746637
PubMed citation
Europe PMC
3594697
PubMed citation
Europe PMC
PMC7257413
PubMed Central citation
Europe PMC
Last Modified
17 August 2020