Bioactive Compound Details

BioIDbio245
NameTIRANDAMYCIN C
ChEMBL IDCHEMBL1081760
Molecular FormulaC22H29NO5
Molecular Weight387.48
Molecular Weight (Monoisotopic)387.2046
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTirandamycin C
SmilesCC1=CC[C@H]2O[C@]1(C)O[C@H]([C@H](C)/C=C(C)/C=C/C(O)=C1/C(=O)CNC1=O)[C@H]2C
InchiInChI=1S/C22H29NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10,13,15,18,20,24H,9,11H2,1-5H3,(H,23,26)/b8-6+,12-10+,19-16+/t13-,15+,18-,20-,22-/m1/s1
Inchi KeyWWRZQUIPJGHZFD-IVGQTCGHSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score2.7
Records Key['1']
Records Name['tirandamycin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure