CHEBI:136851 - colupulone

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ChEBI Name colupulone
ChEBI ID CHEBI:136851
Definition A β-bitter acid in which the acyl group is specified as isobutanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H36O4
Net Charge 0
Average Mass 400.552
Monoisotopic Mass 400.26136
InChI InChI=1S/C25H36O4/c1-15(2)9-10-19-22(27)20(21(26)18(7)8)24(29)25(23(19)28,13-11-16(3)4)14-12-17(5)6/h9,11-12,18,27-28H,10,13-14H2,1-8H3
InChIKey UNCDMWKTFLUPHZ-UHFFFAOYSA-N
SMILES C=1(C(C(C(C(C(C)C)=O)=C(C1CC=C(C)C)O)=O)(CC=C(C)C)CC=C(C)C)O
Metabolite of Species Details
Humulus lupulus (NCBI:txid3486) 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.
(via beta-bitter acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing colupulone (CHEBI:136851) is a β-bitter acid (CHEBI:136848)
colupulone (CHEBI:136851) is conjugate acid of colupulone(1−) (CHEBI:134349)
Incoming colupulone(1−) (CHEBI:134349) is conjugate base of colupulone (CHEBI:136851)
IUPAC Name
3,5-dihydroxy-4,6,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
Manual Xrefs Databases
CPD-7111 MetaCyc
HMDB0030065 HMDB
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Registry Numbers Types Sources
2064782 Reaxys Registry Number Reaxys
468-27-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1352202 PubMed citation Europe PMC
1517174 PubMed citation Europe PMC
17309054 PubMed citation Europe PMC
18768384 PubMed citation Europe PMC
19627140 PubMed citation Europe PMC
20616876 PubMed citation Europe PMC
22268354 PubMed citation Europe PMC
23790907 PubMed citation Europe PMC
25485767 PubMed citation Europe PMC
25875530 PubMed citation Europe PMC
7959454 PubMed citation Europe PMC
8185600 PubMed citation Europe PMC
Last Modified
18 April 2017