Bioactive Compound Details

BioIDbio76
NameLONGIKAURIN C
ChEMBL IDCHEMBL519320
Molecular FormulaC22H30O6
Molecular Weight390.48
Molecular Weight (Monoisotopic)390.2042
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLongikaurin C
SmilesC=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@]3(O)OC2
InchiInChI=1S/C22H30O6/c1-12-14-5-6-15-20-8-4-7-19(3,10-27-13(2)23)16(20)18(25)22(26,28-11-20)21(15,9-14)17(12)24/h14-16,18,25-26H,1,4-11H2,2-3H3/t14-,15+,16-,18+,19+,20-,21+,22+/m1/s1
Inchi KeyHSMCZGYOVWATPU-AQXMTESMSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score3.79
Records Key['17', '7']
Records Name['longikaurin C', 'longikaurin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure