Bioactive Compound Details

BioIDbio213
NameDYSOLENTICIN C
ChEMBL IDCHEMBL1835381
Molecular FormulaC27H38O5
Molecular Weight442.6
Molecular Weight (Monoisotopic)442.2719
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDysolenticin C
SmilesCC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](C5=CC(O)(CO)OC5=O)CC[C@]4(C)C3=CC[C@@H]12
InchiInChI=1S/C27H38O5/c1-23(2)20-7-6-19-18(24(20,3)11-10-21(23)29)9-13-25(4)17(8-12-26(19,25)5)16-14-27(31,15-28)32-22(16)30/h6,14,17-18,20,28,31H,7-13,15H2,1-5H3/t17-,18-,20-,24+,25-,26+,27?/m0/s1
Inchi KeyDKUCZRZGAXYSEA-LRJKLRJMSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.34
Records Key['3, epimeric mixture']
Records Name['dysolenticin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure