Bioactive Compound Details

BioIDbio244
NameDALDININ C
ChEMBL IDCHEMBL2040597
Molecular FormulaC23H28O8
Molecular Weight432.47
Molecular Weight (Monoisotopic)432.1784
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDaldinin C
SmilesC/C=C(\C)C(=O)CC1C2=CC(=O)[C@](C)(OC(C)=O)C(=O)C2=COC12OC(C)CCC2O
InchiInChI=1S/C23H28O8/c1-6-12(2)18(25)10-17-15-9-20(27)22(5,31-14(4)24)21(28)16(15)11-29-23(17)19(26)8-7-13(3)30-23/h6,9,11,13,17,19,26H,7-8,10H2,1-5H3/b12-6+/t13?,17?,19?,22-,23?/m0/s1
Inchi KeyJKRPQALLNGSXLZ-SNQJLXEJSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score3.0
Records Key['TBU-18']
Records Name['Daldinin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure