Bioactive Compound Details

BioIDbio1390
NameGYPENSAPOGENIN C
ChEMBL IDCHEMBL1951709
Molecular FormulaC30H46O2
Molecular Weight438.7
Molecular Weight (Monoisotopic)438.3498
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsGypensapogenin C
SmilesCC(C)=C1CC=C([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)C1=O
InchiInChI=1S/C30H46O2/c1-18(2)19-8-9-21(26(19)32)20-12-16-29(6)22(20)10-11-24-28(5)15-14-25(31)27(3,4)23(28)13-17-30(24,29)7/h9,20,22-25,31H,8,10-17H2,1-7H3/t20-,22-,23+,24-,25+,28+,29-,30-/m1/s1
Inchi KeyPTTPQVVXFQBCKP-WDKNXSKUSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities4.0
Np Likeness Score2.64
Records Key['3', '15']
Records Name['Gypensapogenin C', 'gypensapogenin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure