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ChEBI
> Main
CHEBI:178050 - hastatoside
Main
ChEBI Ontology
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ChEBI Name
hastatoside
ChEBI ID
CHEBI:178050
Definition
An iridoid monoterpenoid with formula C
17
H
24
O
11
that is isolated from several plants including
Verbena officinalis
and exhibits a sleep-promoting effect.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Molfile
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Molfile
Formula
C17H24O11
Net Charge
0
Average Mass
404.368
Monoisotopic Mass
404.13186
InChI
InChI=1S/C17H24O11/c1-
6-
3-
9(19)
17(24)
7(14(23)
25-
2)
5-
26-
15(10(6)
17)
28-
16-
13(22)
12(21)
11(20)
8(4-
18)
27-
16/h5-
6,8,10-
13,15-
16,18,20-
22,24H,3-
4H2,1-
2H3/t6-
,8+,10-
,11+,12-
,13+,15-
,16-
,17+/m0/s1
InChIKey
PRZVXHGUJJPSME-CZMSZWGTSA-N
SMILES
[H][C@@]12[C@@H](C)CC(=O)[C@]1(O)C(=CO[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC
Metabolite of Species
Details
Verbena minutiflora
(IPNI:263184-2)
Found in aerial part
(BTO:0001658)
. See:
DOI
Verbena carolina
(IPNI:30017286-2)
Found in whole plant
(BTO:0001461)
. See:
PubMed
Penstemon nitidus
(NCBI:txid388176)
See:
PubMed
Verbena officinalis
(NCBI:txid79772)
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.
Application
(s):
hepatoprotective agent
Any compound that is able to prevent damage to the liver.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
hastatoside (
CHEBI:178050
)
has role
hepatoprotective agent (
CHEBI:62868
)
hastatoside (
CHEBI:178050
)
has role
plant metabolite (
CHEBI:76924
)
hastatoside (
CHEBI:178050
)
is a
α,β-unsaturated carboxylic ester (
CHEBI:51737
)
hastatoside (
CHEBI:178050
)
is a
β-
D
-glucoside (
CHEBI:22798
)
hastatoside (
CHEBI:178050
)
is a
cyclopentapyran (
CHEBI:38606
)
hastatoside (
CHEBI:178050
)
is a
iridoid monoterpenoid (
CHEBI:50563
)
hastatoside (
CHEBI:178050
)
is a
methyl ester (
CHEBI:25248
)
hastatoside (
CHEBI:178050
)
is a
monosaccharide derivative (
CHEBI:63367
)
hastatoside (
CHEBI:178050
)
is a
monoterpene glycoside (
CHEBI:72293
)
IUPAC Name
methyl (1
S
,4a
R
,7
S
,7a
R
)-
1-
(β-
D
-
glucopyranosyloxy)-
4a-
hydroxy-
7-
methyl-
5-
oxo-
1,4a,5,6,7,7a-
hexahydrocyclopenta[
c
]pyran-
4-
carboxylate
Manual Xrefs
Databases
34997604
ChemSpider
C00010576
KNApSAcK
FDB001657
FooDB
View more database links
Registry Number
Type
Source
50816-24-5
CAS Registry Number
KNApSAcK
Citations
Types
Sources
10960904
PubMed citation
Europe PMC
15724402
PubMed citation
Europe PMC
17226148
PubMed citation
Europe PMC
18155378
PubMed citation
Europe PMC
25045888
PubMed citation
Europe PMC
31121915
PubMed citation
Europe PMC
31148270
PubMed citation
Europe PMC
31769179
PubMed citation
Europe PMC
33260609
PubMed citation
Europe PMC
344749
Chinese Abstracts citation
Europe PMC
IND605716036
Agricola citation
Europe PMC
Last Modified
07 September 2021