CHEBI:178050 - hastatoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name hastatoside
ChEBI ID CHEBI:178050
Definition An iridoid monoterpenoid with formula C17H24O11 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
Download Molfile XML SDF
more structures >>
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 (1S,4aR,7S,7aR)-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 Waiting for 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