Bioactive Compound Details

BioIDbio1097
NameLABIATIN C
ChEMBL IDCHEMBL1928374
Molecular FormulaC26H40O8
Molecular Weight480.6
Molecular Weight (Monoisotopic)480.2723
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLabiatin C
SmilesC=C1C[C@@H]2O[C@@H]([C@@H]3[C@H]2[C@@](C)(OC(C)=O)[C@H](OC(C)=O)C[C@H]3C(C)C)[C@@](C)(OC(C)=O)CC[C@H]1O
InchiInChI=1S/C26H40O8/c1-13(2)18-12-21(31-15(4)27)26(8,34-17(6)29)23-20-11-14(3)19(30)9-10-25(7,33-16(5)28)24(32-20)22(18)23/h13,18-24,30H,3,9-12H2,1-2,4-8H3/t18-,19+,20-,21+,22-,23-,24-,25-,26-/m0/s1
Inchi KeyZRFWYDWQAADALN-HTJLZVHASA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.1
Records Key['26']
Records Name['Labiatin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure