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CHEBI:8630 - pterostilbene

Default Structure
ChEBI IDCHEBI:8630
ChEBI Namepterostilbene
Stars
DefinitionA stilbenol that consists of trans-stilbene bearing a hydroxy group at position 4 as well as two methoxy substituents at positions 3' and 5'.
Last Modified8 June 2021
DownloadsMolfile
FormulaC16H16O3
Net Charge0
Average Mass256.301
Monoisotopic Mass256.10994
SMILESCOc1cc(/C=C/c2ccc(O)cc2)cc(OC)c1
InChIInChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
InChIKeyVLEUZFDZJKSGMX-ONEGZZNKSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Pterocarpus marsupium (IPNI:516505-1) heartwood (PO:0004512) DOI (10.1021/np50031a029)
Vaccinium (ncbitaxon:13749) fruit (BTO:0000486) PubMed (15264904)
Vitis vinifera (ncbitaxon:29760)
leaf (BTO:0000713) PubMed (11312782)
fruit (BTO:0000486) PubMed (11312782)
Roles Classification
Chemical Roles:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Roles:
neurotransmitter  An endogenous compound that is used to transmit information across the synapse between a neuron and another cell.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Applications:
hypoglycemic agent  A drug which lowers the blood glucose level.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
pterostilbene (CHEBI:8630) has parent hydride trans-stilbene (CHEBI:36007)
pterostilbene (CHEBI:8630) has role anti-inflammatory agent (CHEBI:67079)
pterostilbene (CHEBI:8630) has role antineoplastic agent (CHEBI:35610)
pterostilbene (CHEBI:8630) has role antioxidant (CHEBI:22586)
pterostilbene (CHEBI:8630) has role apoptosis inducer (CHEBI:68495)
pterostilbene (CHEBI:8630) has role hypoglycemic agent (CHEBI:35526)
pterostilbene (CHEBI:8630) has role neuroprotective agent (CHEBI:63726)
pterostilbene (CHEBI:8630) has role neurotransmitter (CHEBI:25512)
pterostilbene (CHEBI:8630) has role plant metabolite (CHEBI:76924)
pterostilbene (CHEBI:8630) has role radical scavenger (CHEBI:48578)
pterostilbene (CHEBI:8630) has role renoprotective agent (CHEBI:231911)
pterostilbene (CHEBI:8630) is a diether (CHEBI:46786)
pterostilbene (CHEBI:8630) is a methoxybenzenes (CHEBI:51683)
pterostilbene (CHEBI:8630) is a stilbenol (CHEBI:36027)
IUPAC Name 
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
Synonyms  Source
3,5-dimethoxy-4'-hydroxy-trans-stilbeneChEBI
3',5'-dimethoxy-4-stilbenolChemIDplus
3',5'-dimethoxy-resveratrolChEBI
4-(2-(3,5-Dimethoxyphenyl)ethenyl)phenolChemIDplus
4-(3,5-dimethoxystyryl)phenolChEMBL
4-[(E)-2-(3,5-dimethoxyphenyl)vinyl]phenolIUPAC
Brand Name  Source
Pterostilbene component of eh-301ChEMBL
UniProt Name  Source
pterostilbeneUniProt
Manual XrefsDatabases
3RLPDBeChem
4445042ChemSpider
C00002902KNApSAcK
C10287KEGG COMPOUND
CN101912377Patent
CPD-6959MetaCyc
EP2445488Patent
FDB012375FooDB
HMDB0130987HMDB
KR20120000824Patent
LMPK13090015LIPID MAPS
LSM-43245LINCS
PterostilbeneWikipedia
US2011224290Patent
Registry NumbersSources
Reaxys:2054316Reaxys
CAS:537-42-8KEGG COMPOUND
CAS:537-42-8ChemIDplus
Citations