Bioactive Compound Details

BioIDbio1545
NameANNOPENTOCIN C
ChEMBL IDCHEMBL450241
Molecular FormulaC35H64O8
Molecular Weight612.89
Molecular Weight (Monoisotopic)612.4601
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAnnopentocin C
SmilesCCCCCCCCCCCC[C@H](O)[C@H](O)CC[C@H](O)[C@@H]1CC[C@@H](C[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1
InchiInChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(38)32(39)20-21-33(40)34-22-19-30(43-34)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3/t26-,28+,29+,30-,31-,32+,33-,34-/m0/s1
Inchi KeyZPRYGZNEAVBQEP-PQFCOHJISA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities14.0
Np Likeness Score2.24
Records Key['66', '3']
Records Name['annopentocin C', 'Annopentocin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure