Bioactive Compound Details

BioIDbio197462
NameNone
ChEMBL IDCHEMBL449195
Molecular FormulaC41H62O2
Molecular Weight586.95
Molecular Weight (Monoisotopic)586.475
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Heptaprenyl-Hydroquinone|2-Heptaprenylhydroquinone
SmilesCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(O)ccc1O
InchiInChI=1S/C41H62O2/c1-32(2)15-9-16-33(3)17-10-18-34(4)19-11-20-35(5)21-12-22-36(6)23-13-24-37(7)25-14-26-38(8)27-28-39-31-40(42)29-30-41(39)43/h15,17,19,21,23,25,27,29-31,42-43H,9-14,16,18,20,22,24,26,28H2,1-8H3/b33-17+,34-19+,35-21+,36-23+,37-25+,38-27+
Inchi KeyAXRXQPWGBYSWOE-PYHSYOTJSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities9.0
Np Likeness Score1.07
Records Key['8', '2']
Records Name['2-heptaprenyl-hydroquinone', '2-Heptaprenylhydroquinone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure