Bioactive Compound Details

BioIDbio1491
NameLAMESTICUMIN C
ChEMBL IDCHEMBL1782131
Molecular FormulaC30H46O3
Molecular Weight454.7
Molecular Weight (Monoisotopic)454.3447
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLamesticumin C
SmilesC=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CCC1=C(C)C(=O)C[C@H]2C(C)(C)C(=O)CC[C@]12C
InchiInChI=1S/C30H46O3/c1-18-9-12-23-27(3,4)25(32)13-15-29(23,7)20(18)10-11-21-19(2)22(31)17-24-28(5,6)26(33)14-16-30(21,24)8/h20,23-25,32H,1,9-17H2,2-8H3/t20-,23-,24-,25-,29+,30+/m0/s1
Inchi KeyDJHULNDUQFBXME-DVMOUVJLSA-N
Molecular SpeciesNEUTRAL
Targets10.0
Bioactivities11.0
Np Likeness Score3.19
Records Key['4']
Records Name['Lamesticumin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure