Bioactive Compound Details

BioIDbio197423
NameNone
ChEMBL IDCHEMBL496451
Molecular FormulaC27H32O6
Molecular Weight452.55
Molecular Weight (Monoisotopic)452.2199
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms(2S)-2'-Methoxy Kurarinone|(2S)-2'-Methoxykurarinone
SmilesC=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(OC)c2c1O[C@H](c1ccc(O)cc1OC)CC2=O
InchiInChI=1S/C27H32O6/c1-15(2)7-8-17(16(3)4)11-20-21(29)13-25(32-6)26-22(30)14-24(33-27(20)26)19-10-9-18(28)12-23(19)31-5/h7,9-10,12-13,17,24,28-29H,3,8,11,14H2,1-2,4-6H3/t17-,24+/m1/s1
Inchi KeyKTAQQSUPNZAWEY-OSPHWJPCSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities5.0
Np Likeness Score2.4
Records Key['8', '1']
Records Name[(2S)-2'-methoxy kurarinone", "(2S)-2'-methoxykurarinone"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure