Bioactive Compound Details

BioIDbio1702
NamePARAENSIDIMERIN C
ChEMBL IDCHEMBL429124
Molecular FormulaC30H30N2O4
Molecular Weight482.58
Molecular Weight (Monoisotopic)482.2206
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsParaensidimerin C
SmilesCn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1[C@@H]2C[C@]2(C)C[C@H]1c1c(c3ccccc3n(C)c1=O)O2
InchiInChI=1S/C30H30N2O4/c1-29(2)24-18(22-25(35-29)16-10-6-8-12-20(16)31(4)27(22)33)14-30(3)15-19(24)23-26(36-30)17-11-7-9-13-21(17)32(5)28(23)34/h6-13,18-19,24H,14-15H2,1-5H3/t18-,19+,24-,30-/m1/s1
Inchi KeyDUHDIWSVGBLULV-SUNBNRQWSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.1
Records Key['6']
Records Name['paraensidimerin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure