Bioactive Compound Details

BioIDbio799
NameMELLEDONAL C
ChEMBL IDCHEMBL1078144
Molecular FormulaC24H29ClO8
Molecular Weight480.94
Molecular Weight (Monoisotopic)480.1551
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMelledonal C
SmilesCOc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4[C@@H](O)C(C)(C)C[C@@]4(O)C=C(C=O)[C@]23O)c(C)c1Cl
InchiInChI=1S/C24H29ClO8/c1-11-16(13(27)6-14(32-5)17(11)25)20(29)33-15-8-22(4)18-19(28)21(2,3)10-23(18,30)7-12(9-26)24(15,22)31/h6-7,9,15,18-19,27-28,30-31H,8,10H2,1-5H3/t15-,18-,19-,22-,23+,24+/m1/s1
Inchi KeyRCBZBPPFXBBNCD-IQEKTTGQSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score2.57
Records Key['6']
Records Name['melledonal C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure