Bioactive Compound Details

BioIDbio163
NameLUPULONE C
ChEMBL IDCHEMBL481840
Molecular FormulaC26H38O5
Molecular Weight430.59
Molecular Weight (Monoisotopic)430.2719
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLupulone C
SmilesCC(C)=CCC1(CC=C(C)C)C(=O)C2=C(OC(C(C)(C)O)C2)C(C(=O)CC(C)C)=C1O
InchiInChI=1S/C26H38O5/c1-15(2)9-11-26(12-10-16(3)4)23(28)18-14-20(25(7,8)30)31-22(18)21(24(26)29)19(27)13-17(5)6/h9-10,17,20,29-30H,11-14H2,1-8H3
Inchi KeyHWYZDQMASKCQDN-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities3.0
Np Likeness Score2.29
Records Key['10']
Records Name['Lupulone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure