Bioactive Compound Details

BioIDbio1466
NameSCUTEHENANINE C
ChEMBL IDCHEMBL1077450
Molecular FormulaC33H37NO8
Molecular Weight575.66
Molecular Weight (Monoisotopic)575.2519
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsScutehenanine C
SmilesC=C1CCC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](O)[C@]1(C)O[C@@]3(COC(=O)C3)C[C@H](OC(=O)c3cccnc3)[C@]21C
InchiInChI=1S/C33H37NO8/c1-20-10-8-14-23-30(20,2)27(41-28(37)21-11-6-5-7-12-21)26(36)32(4)31(23,3)24(16-33(42-32)17-25(35)39-19-33)40-29(38)22-13-9-15-34-18-22/h5-7,9,11-13,15,18,23-24,26-27,36H,1,8,10,14,16-17,19H2,2-4H3/t23-,24-,26-,27-,30-,31-,32-,33-/m0/s1
Inchi KeyGMMYKYNDSYLONO-GRTFKUIQSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score2.0
Records Key['5']
Records Name['scutehenanine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure