Bioactive Compound Details

BioIDbio1416
NameEXCISUSIN C
ChEMBL IDCHEMBL390108
Molecular FormulaC22H34O5
Molecular Weight378.51
Molecular Weight (Monoisotopic)378.2406
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsExcisusin C
SmilesC=C1[C@@H]2C[C@H](O)[C@H]3[C@]4(C)CC[C@@H](O)[C@@](C)(COC(C)=O)[C@H]4CC[C@]3(C2)[C@@H]1O
InchiInChI=1S/C22H34O5/c1-12-14-9-15(24)18-20(3)7-6-17(25)21(4,11-27-13(2)23)16(20)5-8-22(18,10-14)19(12)26/h14-19,24-26H,1,5-11H2,2-4H3/t14-,15+,16+,17-,18+,19-,20-,21+,22-/m1/s1
Inchi KeyCHKPKMQLJUVPLP-DOJKHQBHSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities4.0
Np Likeness Score3.59
Records Key['3']
Records Name['excisusin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure