Bioactive Compound Details

BioIDbio1603
NameGIBBEROKETOSTEROL C
ChEMBL IDCHEMBL497041
Molecular FormulaC28H44O3
Molecular Weight428.66
Molecular Weight (Monoisotopic)428.329
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymsgibberoketosterol C
SmilesC=C(/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InchiInChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-15-25(30)24-13-19(29)14-26(31)28(24,6)23(20)11-12-27(21,22)5/h7-8,16,18-24,26,29,31H,3,9-15H2,1-2,4-6H3/b8-7+/t18-,19-,20+,21-,22+,23+,24-,26+,27-,28-/m1/s1
Inchi KeySMIJQQDUOZGITI-ROUJNYGZSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score2.98
Records Key['2, gibberoketosterol C']
Records Name['5alpha-H-24-methylenecholest-22E-ene-1alpha-3beta-diol-6-one']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure