Bioactive Compound Details

BioIDbio1819
NameCASEANIGRESCEN C
ChEMBL IDCHEMBL218538
Molecular FormulaC30H42O10
Molecular Weight562.66
Molecular Weight (Monoisotopic)562.2778
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCaseanigrescen C
SmilesC=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](O)[C@H](OC(C)=O)[C@@]23C(=C[C@H](OC(=O)CCC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O
InchiInChI=1S/C30H42O10/c1-9-11-24(34)39-21-14-22-27(37-19(6)32)40-28(38-20(7)33)30(22)23(15-21)29(8,13-12-16(3)10-2)17(4)25(35)26(30)36-18(5)31/h10,14,17,21,23,25-28,35H,2-3,9,11-13,15H2,1,4-8H3/t17-,21+,23+,25-,26+,27+,28-,29-,30-/m1/s1
Inchi KeyUNPCWLNLKVPHPE-XAOZSVRPSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.22
Records Key['3']
Records Name['caseanigrescen C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure