Bioactive Compound Details

BioIDbio1474
NameARAGUSTEROL C
ChEMBL IDCHEMBL494650
Molecular FormulaC29H47ClO4
Molecular Weight495.14
Molecular Weight (Monoisotopic)494.3163
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAragusterol C
SmilesC[C@H](C[C@@H](O)[C@](O)(CCl)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C)[C@H]1C[C@@H]1C
InchiInChI=1S/C29H47ClO4/c1-16-11-21(16)17(2)12-26(33)29(34,15-30)24-8-7-22-20-6-5-18-13-19(31)9-10-27(18,3)23(20)14-25(32)28(22,24)4/h16-18,20-26,32-34H,5-15H2,1-4H3/t16-,17+,18-,20-,21-,22-,23-,24-,25+,26+,27-,28-,29-/m0/s1
Inchi KeyIDJFQGHMTPJXRG-ABQXLVMOSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.75
Records Key['8']
Records Name['aragusterol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure