Bioactive Compound Details

BioIDbio1112
NameNone
ChEMBL IDCHEMBL457851
Molecular FormulaC24H32O6
Molecular Weight416.51
Molecular Weight (Monoisotopic)416.2199
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms1Alpha,6Alpha-Diacetoxyjungermannenone C
SmilesC=C1C(=O)[C@@H]2C3=C(C[C@H](OC(C)=O)[C@@H]4C(C)(C)CC[C@H](OC(C)=O)[C@@]34C)C[C@H]1[C@@H]2O
InchiInChI=1S/C24H32O6/c1-11-15-9-14-10-16(29-12(2)25)22-23(4,5)8-7-17(30-13(3)26)24(22,6)19(14)18(20(11)27)21(15)28/h15-18,21-22,28H,1,7-10H2,2-6H3/t15-,16+,17+,18+,21+,22-,24+/m1/s1
Inchi KeyQPXTVGNCBLYFBX-GPMMHRFPSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.91
Records Key['2']
Records Name['1alpha,6alpha-Diacetoxyjungermannenone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure