Bioactive Compound Details

BioIDbio833
NameHAMIGERAN C
ChEMBL IDCHEMBL480483
Molecular FormulaC21H25BrO5
Molecular Weight437.33
Molecular Weight (Monoisotopic)436.0885
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsHamigeran C
SmilesCC(=O)O[C@H]1C(=O)C(=O)c2c(cc(C)c(Br)c2O)[C@H]2[C@@H](C(C)C)CC[C@@]12C
InchiInChI=1S/C21H25BrO5/c1-9(2)12-6-7-21(5)15(12)13-8-10(3)16(22)17(24)14(13)18(25)19(26)20(21)27-11(4)23/h8-9,12,15,20,24H,6-7H2,1-5H3/t12-,15-,20+,21-/m1/s1
Inchi KeyRIFRKOGZXWRBEW-FSKQDFAOSA-N
Molecular SpeciesNEUTRAL
Targets6.0
Bioactivities8.0
Np Likeness Score2.13
Records Key['5']
Records Name['Hamigeran C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure