Bioactive Compound Details

BioIDbio1043
NameCROTONKININ C
ChEMBL IDCHEMBL2337579
Molecular FormulaC22H30O5
Molecular Weight374.48
Molecular Weight (Monoisotopic)374.2093
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymscrotonkinin C
SmilesCC(=O)O[C@H]1C[C@@H]2C[C@]3(C=C2C=O)CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)O)[C@H]13
InchiInChI=1S/C22H30O5/c1-13(24)27-16-9-14-10-22(11-15(14)12-23)8-5-17-20(2,18(16)22)6-4-7-21(17,3)19(25)26/h11-12,14,16-18H,4-10H2,1-3H3,(H,25,26)/t14-,16+,17+,18+,20-,21+,22+/m1/s1
Inchi KeyUKKLQQNAXRBSIP-JKYGVMPDSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities2.0
Np Likeness Score3.36
Records Key['3, crotonkinin C']
Records Name['ent-11beta-acetoxy-17-oxokaur-15-en-18-oic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure