Bioactive Compound Details

BioIDbio52
NameNone
ChEMBL IDCHEMBL521803
Molecular FormulaC28H36O9
Molecular Weight516.59
Molecular Weight (Monoisotopic)516.2359
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTriptogelin C-1
SmilesCC(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(C)=O
InchiInChI=1S/C28H36O9/c1-15-13-21(33-16(2)29)24(35-18(4)31)27(7)22(36-25(32)19-11-9-8-10-12-19)14-20-23(34-17(3)30)28(15,27)37-26(20,5)6/h8-12,15,20-24H,13-14H2,1-7H3/t15-,20-,21+,22+,23-,24+,27-,28-/m1/s1
Inchi KeyBGJHHQRHKDDKIR-OKPVOZINSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities15.0
Np Likeness Score2.25
Records Key['13', '7']
Records Name['triptogelin C-1', 'triptogelin C-1']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure