Bioactive Compound Details

BioIDbio1697
NameMOOLOOLABENE C
ChEMBL IDCHEMBL469398
Molecular FormulaC26H36O4
Molecular Weight412.57
Molecular Weight (Monoisotopic)412.2614
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMooloolabene C
SmilesCC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C=O)C(C=O)=CC[C@H]4C3=CC[C@@H]12
InchiInChI=1S/C26H36O4/c1-17(29)30-16-24(2)11-5-12-26(4)21-10-13-25(3)20(19(21)7-9-23(24)26)8-6-18(14-27)22(25)15-28/h6-7,14-15,20-23H,5,8-13,16H2,1-4H3/t20-,21-,22-,23-,24+,25-,26+/m0/s1
Inchi KeyTYAAQNFJICIASZ-XGWBYYDQSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.09
Records Key['3']
Records Name['Mooloolabene C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure