Bioactive Compound Details

BioIDbio446
NameTRIPTOQUINONE C
ChEMBL IDCHEMBL480069
Molecular FormulaC21H28O4
Molecular Weight344.45
Molecular Weight (Monoisotopic)344.1988
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTriptoquinone C
SmilesC=C1C[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@]2(C)C2=C1C(=O)C(C(C)C)=CC2=O
InchiInChI=1S/C21H28O4/c1-11(2)13-9-14(23)18-17(19(13)25)12(3)8-15-20(18,4)7-6-16(24)21(15,5)10-22/h9,11,15-16,22,24H,3,6-8,10H2,1-2,4-5H3/t15-,16+,20+,21-/m1/s1
Inchi KeyXUILRZQYVCCMHR-QMKUDKLTSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities6.0
Np Likeness Score2.88
Records Key['5']
Records Name['triptoquinone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure