CHEBI:2366 - absinthin

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ChEBI Name absinthin
ChEBI ID CHEBI:2366
Definition A dimeric sesquiterpene lactone that is produced by the plant Artemisia absinthium (Wormwood). The bitter tasting constituent of Absinthe.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C30H40O6
Net Charge 0
Average Mass 496.63500
Monoisotopic Mass 496.28249
InChI InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16-,17-,18+,20-,21-,22-,23-,24-,25-,28-,29-,30+/m0/s1
InChIKey PZHWYURJZAPXAN-ILOFNVQHSA-N
SMILES [H][C@@]12CC[C@](C)(O)[C@@]3([H])C(=C(C)[C@@]4([H])[C@]3([H])[C@H]3C=C(C)[C@@]44[C@@]5([H])OC(=O)[C@@H](C)[C@]5([H])CC[C@](C)(O)[C@]34[H])[C@@]1([H])OC(=O)[C@H]2C
Metabolite of Species Details
Artemisia absinthium (NCBI:txidtxid72332) 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): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
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ChEBI Ontology
Outgoing absinthin (CHEBI:2366) has role anti-inflammatory agent (CHEBI:67079)
absinthin (CHEBI:2366) has role plant metabolite (CHEBI:76924)
absinthin (CHEBI:2366) is a organic heteroheptacyclic compound (CHEBI:52157)
absinthin (CHEBI:2366) is a sesquiterpene lactone (CHEBI:37667)
absinthin (CHEBI:2366) is a triterpenoid (CHEBI:36615)
IUPAC Name
(1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.01,16.02,14.04,13.05,9.020,24]hexacosa-3,25-diene-7,22-dione
Synonyms Sources
(+)-absinthin
Note: (2008-08-11) doi: 10.1021/ja0439219
ChEBI
Absinthin KEGG COMPOUND
Absynthin ChemIDplus
Manual Xrefs Databases
Absinthin Wikipedia
C00000172 KNApSAcK
C09286 KEGG COMPOUND
CN101658656 Patent
HMDB0035742 HMDB
SE530687 Patent
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Registry Numbers Types Sources
1362-42-1 CAS Registry Number ChemIDplus
4730201 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15631427 PubMed citation Europe PMC
25037681 PubMed citation Europe PMC
IND43864075 Agricola citation Europe PMC
Last Modified
22 January 2015