Bioactive Compound Details

BioIDbio354
NameGRANDISINE C
ChEMBL IDCHEMBL509995
Molecular FormulaC16H23NO3
Molecular Weight277.36
Molecular Weight (Monoisotopic)277.1678
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsGrandisine C
SmilesC[C@H]1C[C@H](O)CC2=C1C(=O)[C@@H]1[C@@H](CCN3CCC[C@@H]13)O2
InchiInChI=1S/C16H23NO3/c1-9-7-10(18)8-13-14(9)16(19)15-11-3-2-5-17(11)6-4-12(15)20-13/h9-12,15,18H,2-8H2,1H3/t9-,10-,11-,12+,15-/m0/s1
Inchi KeyWNDBXOYUMYCREE-NAYUARGSSA-N
Molecular SpeciesBASE
Targets1.0
Bioactivities1.0
Np Likeness Score2.14
Records Key['4']
Records Name['Grandisine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure