EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211227 - 1-(2,2-dimethylchroman-6-yl)-3-(4-hydroxyphenyl)propan-2-one

ChEBI IDCHEBI:211227
ChEBI Name1-(2,2-dimethylchroman-6-yl)-3-(4-hydroxyphenyl)propan-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O3
Net Charge0
Average Mass310.393
Monoisotopic Mass310.15689
SMILESCC1(C)CCc2cc(CC(=O)Cc3ccc(O)cc3)ccc2O1
InChIInChI=1S/C20H22O3/c1-20(2)10-9-16-11-15(5-8-19(16)23-20)13-18(22)12-14-3-6-17(21)7-4-14/h3-8,11,21H,9-10,12-13H2,1-2H3
InChIKeyCZPXYYJFJHQNNH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2017.11.039)
ChEBI Ontology
Outgoing Relation(s)
1-(2,2-dimethylchroman-6-yl)-3-(4-hydroxyphenyl)propan-2-one (CHEBI:211227) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)propan-2-one
Manual XrefsDatabases
75590301ChemSpider