Chemical Component Summary

Name4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one
Identifiers4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one
FormulaC24 H30 O3
Molecular Weight366.493
TypeNON-POLYMER
Isomeric SMILESCC(=CCC/C(=C/CC/C(=C/CC1=C(c2ccccc2OC1=O)O)/C)/C)C
InChIInChI=1S/C24H30O3/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-21-23(25)20-13-5-6-14-22(20)27-24(21)26/h5-6,9,11,13-15,25H,7-8,10,12,16H2,1-4H3/b18-11+,19-15+
InChIKeyNJJDBBUWWOAOLD-CFBAGHHKSA-N

Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count0
Bond Count58
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 54679300
ChEMBL CHEMBL174839, CHEMBL268393