Bioactive Compound Details

BioIDbio487
NamePLECTRORNATIN C
ChEMBL IDCHEMBL484439
Molecular FormulaC24H36O6
Molecular Weight420.55
Molecular Weight (Monoisotopic)420.2512
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsplectrornatin C
SmilesC=C[C@@]1(C)CC(=O)[C@@H]2[C@@]3(C)[C@@H](OC(C)=O)CCC(C)(C)[C@@H]3[C@H](OC(C)=O)C[C@@]2(C)O1
InchiInChI=1S/C24H36O6/c1-9-22(6)12-16(27)19-23(7,30-22)13-17(28-14(2)25)20-21(4,5)11-10-18(24(19,20)8)29-15(3)26/h9,17-20H,1,10-13H2,2-8H3/t17-,18+,19+,20+,22+,23-,24-/m1/s1
Inchi KeyUCYVBJBGLQZGCI-DGQCHYMOSA-N
Molecular SpeciesNEUTRAL
Targets8.0
Bioactivities8.0
Np Likeness Score2.99
Records Key['3, plectrornatin C']
Records Name['1alpha,6beta-Diacetoxy-8alpha,13R*-epoxy-14-labden-11-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure