CHEBI:90283 - 11β,13-dihydrolactucopicrin

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ChEBI Name 11β,13-dihydrolactucopicrin
ChEBI ID CHEBI:90283
ChEBI ASCII Name 11beta,13-dihydrolactucopicrin
Definition A sesquiterpene lactone obtained by formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with the 8-hydroxy group of 11β,13-dihydrolactucin. Found in chicory.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H24O7
Net Charge 0
Average Mass 412.433
Monoisotopic Mass 412.15220
InChI InChI=1S/C23H24O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,12,17,20-22,24-25H,7-8,10H2,1-2H3/t12-,17-,20+,21-,22-/m0/s1
InChIKey ICJJPTZLMALYBH-ZUQDHHQASA-N
SMILES OCC1=CC(=O)C2=C(C)C[C@@H]([C@]3([C@H](C)C(=O)O[C@@]3([C@@]12[H])[H])[H])OC(=O)CC=4C=CC(O)=CC4
Metabolite of Species Details
Cichorium intybus (NCBI:txid13427) See: MetaboLights Study
Lactuca saligna (NCBI:txid75948) 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 11β,13-dihydrolactucopicrin (CHEBI:90283) has functional parent 4-hydroxyphenylacetic acid (CHEBI:18101)
11β,13-dihydrolactucopicrin (CHEBI:90283) has functional parent lactucin (CHEBI:6358)
11β,13-dihydrolactucopicrin (CHEBI:90283) has role plant metabolite (CHEBI:76924)
11β,13-dihydrolactucopicrin (CHEBI:90283) is a azulenofuran (CHEBI:39433)
11β,13-dihydrolactucopicrin (CHEBI:90283) is a cyclic terpene ketone (CHEBI:36130)
11β,13-dihydrolactucopicrin (CHEBI:90283) is a enone (CHEBI:51689)
11β,13-dihydrolactucopicrin (CHEBI:90283) is a phenols (CHEBI:33853)
11β,13-dihydrolactucopicrin (CHEBI:90283) is a primary alcohol (CHEBI:15734)
11β,13-dihydrolactucopicrin (CHEBI:90283) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name
(3S,3aR,4S,9aS,9bR)-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl (4-hydroxyphenyl)acetate
Synonyms Sources
11,13-dihydrolactucopicrin ChEBI
11beta,13-Dihydrolactucopicrin KNApSAcK
Manual Xref Database
C00033520 KNApSAcK
View more database links
Registry Numbers Types Sources
125519-47-3 CAS Registry Number KNApSAcK
6670530 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17226150 PubMed citation Europe PMC
Last Modified
16 June 2016