Bioactive Compound Details

BioIDbio558
NameSAGITTINE C
ChEMBL IDCHEMBL481066
Molecular FormulaC27H42O6
Molecular Weight462.63
Molecular Weight (Monoisotopic)462.2981
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymssagittine C
SmilesC=C[C@@]1(C)CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CCC[C@]3(C)CO[C@@H]2O[C@@H](COC(C)=O)[C@H](O)[C@H]2O)C1
InchiInChI=1S/C27H42O6/c1-6-25(3)12-13-27(5)18(14-25)9-10-19-20(27)8-7-11-26(19,4)16-32-24-23(30)22(29)21(33-24)15-31-17(2)28/h6,10,18,20-24,29-30H,1,7-9,11-16H2,2-5H3/t18-,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1
Inchi KeyPTURMPOJGSCRLC-WJSBELDJSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score3.08
Records Key['3, sagittine C']
Records Name[19-O-alpha-L-5'-acetoxyarabinofuranosyl-entrosa-5,15-diene"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure