Bioactive Compound Details

BioIDbio1533
NameKUHISTANOL C
ChEMBL IDCHEMBL498432
Molecular FormulaC22H32O6
Molecular Weight392.49
Molecular Weight (Monoisotopic)392.2199
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonymskuhistanol C
SmilesC/C(=C\Cc1cc(C(=O)O)ccc1O)CCC(O)[C@]1(C)CC[C@H](C(C)(C)O)O1
InchiInChI=1S/C22H32O6/c1-14(5-7-15-13-16(20(25)26)8-9-17(15)23)6-10-18(24)22(4)12-11-19(28-22)21(2,3)27/h5,8-9,13,18-19,23-24,27H,6-7,10-12H2,1-4H3,(H,25,26)/b14-5+/t18?,19-,22+/m1/s1
Inchi KeyUEDBFLUWLOXTGA-BJKODPKRSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities3.0
Np Likeness Score2.29
Records Key['3, kuhistanol C']
Records Name[cis-(2'E)-3-(6',7',10',11'-tetrahydro-6',11'-dihydroxy-7',10' epoxyfarnesyl)-p-hydroxybenzoic acid"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure