Bioactive Compound Details

BioIDbio431
NameNone
ChEMBL IDCHEMBL452202
Molecular FormulaC30H38O14
Molecular Weight622.62
Molecular Weight (Monoisotopic)622.2262
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms16-Acetoxystecholide C Acetate
SmilesCC(=O)OC/C1=C/[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@H](OC(C)=O)[C@H]2[C@@]3(C)O[C@H]3C[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@H]1OC(C)=O
InchiInChI=1S/C30H38O14/c1-13(31)37-12-18-9-23-30(29(8,44-30)26(36)42-23)25(41-17(5)35)24-27(6,20(39-15(3)33)10-19(18)38-14(2)32)21(40-16(4)34)11-22-28(24,7)43-22/h9,19-25H,10-12H2,1-8H3/b18-9-/t19-,20+,21+,22+,23+,24-,25-,27+,28+,29+,30+/m1/s1
Inchi KeyOTLKIHLYTKNIIE-LJXCLMGBSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.78
Records Key['2']
Records Name['16-Acetoxystecholide C acetate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure