Bioactive Compound Details

BioIDbio746
NameCELAHIN C
ChEMBL IDCHEMBL507495
Molecular FormulaC28H36O10
Molecular Weight532.59
Molecular Weight (Monoisotopic)532.2308
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCelahin C
SmilesCC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)C[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(C)=O)[C@@H]2O
InchiInChI=1S/C28H36O10/c1-15-12-21(35-17(3)30)23(32)27(14-34-16(2)29)22(37-25(33)19-10-8-7-9-11-19)13-20-24(36-18(4)31)28(15,27)38-26(20,5)6/h7-11,15,20-24,32H,12-14H2,1-6H3/t15-,20-,21+,22+,23+,24-,27-,28-/m1/s1
Inchi KeySPZUYBGWJJYLAL-NHJLZMLCSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score2.56
Records Key['9', '10']
Records Name['Celahin C', 'celahin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure