Bioactive Compound Details

BioIDbio939
NameCHELONAPLYSIN C
ChEMBL IDCHEMBL464635
Molecular FormulaC24H34O5
Molecular Weight402.53
Molecular Weight (Monoisotopic)402.2406
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsChelonaplysin C
SmilesC=C([C@@H]1[C@@H]2OC(=O)C[C@H]1[C@H](OC(C)=O)O2)[C@H]1CC[C@H]2C(C)(C)CCCC(=C)[C@]12C
InchiInChI=1S/C24H34O5/c1-13-8-7-11-23(4,5)18-10-9-17(24(13,18)6)14(2)20-16-12-19(26)28-22(20)29-21(16)27-15(3)25/h16-18,20-22H,1-2,7-12H2,3-6H3/t16-,17-,18+,20+,21-,22-,24-/m1/s1
Inchi KeyFFIKMGRZTXHWIJ-FUGOPSOPSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score3.09
Records Key['10']
Records Name['chelonaplysin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure