Bioactive Compound Details

BioIDbio776
NameERIOCASIN C
ChEMBL IDCHEMBL1641888
Molecular FormulaC22H32O6
Molecular Weight392.49
Molecular Weight (Monoisotopic)392.2199
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsEriocasin C
SmilesC=C(C=O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)[C@@H](O)CC[C@]12C
InchiInChI=1S/C22H32O6/c1-12(10-23)14-5-6-16-15(9-14)18(26)19(27)20-21(16,3)8-7-17(25)22(20,4)11-28-13(2)24/h10,14-17,19-20,25,27H,1,5-9,11H2,2-4H3/t14-,15-,16-,17+,19-,20+,21+,22-/m1/s1
Inchi KeyJZFWRUQOQHVXDM-UDTDVKRRSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score3.07
Records Key['3, Eriocasin C']
Records Name['19-acetoxy-3beta,6beta-dihydroxy-7,16-dioxo-ent-abieta-15(17)-ene']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure