CHEBI:9199 - sophoranone

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ChEBI Name sophoranone
ChEBI ID CHEBI:9199
Definition A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7 and 4' and prenyl groups at positions 3' and 5' respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H36O4
Net Charge 0
Average Mass 460.60440
Monoisotopic Mass 460.26136
InChI InChI=1S/C30H36O4/c1-18(2)7-10-21-15-23(16-22(29(21)33)11-8-19(3)4)28-17-27(32)25-13-14-26(31)24(30(25)34-28)12-9-20(5)6/h7-9,13-16,28,31,33H,10-12,17H2,1-6H3/t28-/m0/s1
InChIKey IORSRBKNYXPSDO-NDEPHWFRSA-N
SMILES CC(C)=CCc1cc(cc(CC=C(C)C)c1O)[C@@H]1CC(=O)c2ccc(O)c(CC=C(C)C)c2O1
Metabolite of Species Details
Sophora tonkinensis (NCBI:txid714503) 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 sophoranone (CHEBI:9199) has functional parent (2S)-flavanone (CHEBI:15606)
sophoranone (CHEBI:9199) has role plant metabolite (CHEBI:76924)
sophoranone (CHEBI:9199) is a 4'-hydroxyflavanones (CHEBI:140331)
sophoranone (CHEBI:9199) is a dihydroxyflavanone (CHEBI:38749)
Synonym Source
(2S)-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one ChEBI
Manual Xrefs Databases
C00001005 KNApSAcK
C08719 KEGG COMPOUND
LMPK12140034 LIPID MAPS
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Registry Numbers Types Sources
1332986 Reaxys Registry Number Reaxys
23057-55-8 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
12115492 PubMed citation Europe PMC
24345512 PubMed citation Europe PMC
26068519 PubMed citation Europe PMC
Last Modified
05 April 2018