Bioactive Compound Details

BioIDbio540
NameTALAROCONVOLUTIN C
ChEMBL IDCHEMBL501712
Molecular FormulaC34H49NO5
Molecular Weight551.77
Molecular Weight (Monoisotopic)551.3611
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTalaroconvolutin C
SmilesCCOC1C(C(=O)[C@H]2[C@@H](/C(C)=C/C(C)CC)C(C)=C[C@@]3(C)C[C@@H](C)CC[C@H]23)C(=O)NC1(O)Cc1ccc(O)cc1
InchiInChI=1S/C34H49NO5/c1-8-20(3)16-22(5)27-23(6)18-33(7)17-21(4)10-15-26(33)28(27)30(37)29-31(40-9-2)34(39,35-32(29)38)19-24-11-13-25(36)14-12-24/h11-14,16,18,20-21,26-29,31,36,39H,8-10,15,17,19H2,1-7H3,(H,35,38)/b22-16+/t20?,21-,26+,27-,28+,29?,31?,33+,34?/m0/s1
Inchi KeySDUCDGMAWSHYSB-CITNPMNLSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities20.0
Np Likeness Score2.02
Records Key['3']
Records Name['Talaroconvolutin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure