Bioactive Compound Details

BioIDbio315
NameAGOSTEROL C
ChEMBL IDCHEMBL457946
Molecular FormulaC31H50O6
Molecular Weight518.74
Molecular Weight (Monoisotopic)518.3607
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAgosterol C
SmilesCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)C=C3[C@H](CC[C@]4(C)[C@@H]([C@H](C)[C@H](O)CCC(C)C)CC[C@@H]34)[C@@]2(C)CC[C@@H]1O
InchiInChI=1S/C31H50O6/c1-17(2)8-11-25(34)18(3)22-9-10-23-21-16-27(36-19(4)32)28-29(37-20(5)33)26(35)13-15-31(28,7)24(21)12-14-30(22,23)6/h16-18,22-29,34-35H,8-15H2,1-7H3/t18-,22+,23-,24-,25+,26-,27-,28-,29-,30+,31+/m0/s1
Inchi KeyTYLRRLLZCVWGTR-PHIAUZCSSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score2.79
Records Key['9']
Records Name['Agosterol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure