Bioactive Compound Details

BioIDbio152
NameSIPHONELLINOL C
ChEMBL IDCHEMBL226143
Molecular FormulaC30H52O5
Molecular Weight492.74
Molecular Weight (Monoisotopic)492.3815
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSiphonellinol C
SmilesCC1=C(CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)O[C@@H]3CC[C@]2(C)O)[C@](C)(C/C=C/C(C)(C)O)[C@H](O)CC1
InchiInChI=1S/C30H52O5/c1-20-10-13-24(32)28(6,17-9-16-26(2,3)33)21(20)11-12-22-29(7)18-14-23(31)27(4,5)35-25(29)15-19-30(22,8)34/h9,16,22-25,31-34H,10-15,17-19H2,1-8H3/b16-9+/t22-,23-,24-,25-,28+,29-,30+/m1/s1
Inchi KeyWGFRLFUPNNMWTL-OLIMLXDHSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities6.0
Np Likeness Score3.14
Records Key['3']
Records Name['siphonellinol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure