Bioactive Compound Details

BioIDbio1760
NameBERKELEYACETAL C
ChEMBL IDCHEMBL400716
Molecular FormulaC24H26O8
Molecular Weight442.46
Molecular Weight (Monoisotopic)442.1628
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBerkeleyacetal C
SmilesC[C@@H]1O[C@@H]2OC(=O)[C@]3(C)C[C@@H]4[C@](C)(C(=O)C=C5C(=CC(=O)OC5(C)C)[C@@]45CO5)[C@H](C1=O)[C@H]23
InchiInChI=1S/C24H26O8/c1-10-18(27)16-17-19(30-10)31-20(28)22(17,4)8-13-23(16,5)14(25)6-11-12(24(13)9-29-24)7-15(26)32-21(11,2)3/h6-7,10,13,16-17,19H,8-9H2,1-5H3/t10-,13+,16-,17+,19+,22+,23+,24-/m0/s1
Inchi KeyPCBBMDQLBUYDDZ-MBEBNAQTSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities7.0
Np Likeness Score2.58
Records Key['5', '11', '6']
Records Name['berkeleyacetal C', 'Berkeleyacetal C', 'Berkeleyacetal C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure