Bioactive Compound Details

BioIDbio1462
NamePYRROSPIRONE C
ChEMBL IDCHEMBL520703
Molecular FormulaC31H37NO4
Molecular Weight487.64
Molecular Weight (Monoisotopic)487.2723
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPyrrospirone C
SmilesC=C[C@@H]1C=C(C)[C@H]2[C@@H]3[C@H](Oc4ccc(cc4)C[C@@]4(O)C=C(C(=O)N4)C(=O)[C@@H]13)[C@@H]1[C@@H](C)C[C@@H](C)C[C@]12C
InchiInChI=1S/C31H37NO4/c1-6-20-12-18(4)25-24-23(20)27(33)22-15-31(35,32-29(22)34)14-19-7-9-21(10-8-19)36-28(24)26-17(3)11-16(2)13-30(25,26)5/h6-10,12,15-17,20,23-26,28,35H,1,11,13-14H2,2-5H3,(H,32,34)/t16-,17+,20-,23+,24-,25+,26+,28+,30+,31-/m1/s1
Inchi KeyKXMGXXHZDLJDBH-UHLMFRFDSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities4.0
Np Likeness Score2.24
Records Key['3', '73']
Records Name['Pyrrospirone C', 'Pyrrocidine A']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure