Bioactive Compound Details

BioIDbio87
NameASPERGILOID C
ChEMBL IDCHEMBL1952037
Molecular FormulaC20H26O3
Molecular Weight314.43
Molecular Weight (Monoisotopic)314.1882
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAspergiloid C
SmilesC=Cc1c(C)ccc2c1C(=O)[C@H](O)[C@H]1C(C)(C)CC[C@@H](O)[C@]21C
InchiInChI=1S/C20H26O3/c1-6-12-11(2)7-8-13-15(12)16(22)17(23)18-19(3,4)10-9-14(21)20(13,18)5/h6-8,14,17-18,21,23H,1,9-10H2,2-5H3/t14-,17+,18+,20+/m1/s1
Inchi KeyXKZQNOQYKJKHNV-FBVAEJEDSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.53
Records Key['14']
Records Name['Aspergiloid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure