Bioactive Compound Details

BioIDbio170243
NameNone
ChEMBL IDCHEMBL2151594
Molecular FormulaC27H47NO
Molecular Weight401.68
Molecular Weight (Monoisotopic)401.3658
TypeSmall molecule
Max Phase--
Target IDTar44
Target NameNone
SynonymsDelta-Tocopheramin
SmilesCc1cc(N)cc2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2
InchiInChI=1S/C27H47NO/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22H,7-17,28H2,1-6H3/t21-,22-,27-/m1/s1
Inchi KeyVORNVULEBPTBJQ-VHFRWLAGSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities5.0
Np Likeness Score1.26
Records Key['6a']
Records Name['delta-tocopheramin']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure