Bioactive Compound Details

BioIDbio1688
NameCAESALAMIN C
ChEMBL IDCHEMBL463460
Molecular FormulaC26H34O8
Molecular Weight474.55
Molecular Weight (Monoisotopic)474.2254
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymscaesalamin C
SmilesC=C1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C
InchiInChI=1S/C26H34O8/c1-13-17-9-11-31-19(17)12-18-21(13)22(33-15(3)28)23(34-16(4)29)26(30)24(5,6)10-8-20(25(18,26)7)32-14(2)27/h9,11,18,20-23,30H,1,8,10,12H2,2-7H3/t18-,20-,21-,22+,23-,25-,26+/m0/s1
Inchi KeyLNEQDVOGNPILGB-WOWNGYFCSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities3.0
Np Likeness Score2.76
Records Key['1, caesalamin C']
Records Name['5alpha-hydroxy-1alpha,6alpha,7beta-triacetoxyvouacapan-14(17)-ene']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure