Bioactive Compound Details

BioIDbio45
NameCERAMICINES C
ChEMBL IDCHEMBL457713
Molecular FormulaC30H36O6
Molecular Weight492.61
Molecular Weight (Monoisotopic)492.2512
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCeramicine C|Ceramicines C
SmilesC=C(C)C(=O)O[C@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)[C@H](O)[C@@H]1OC[C@]3(C)C=CC(=O)[C@@]2(C)[C@@H]13
InchiInChI=1S/C30H36O6/c1-16(2)26(33)36-22-13-20-29(5,19-8-7-18(28(19,22)4)17-10-12-34-14-17)25(32)23-24-27(3,15-35-23)11-9-21(31)30(20,24)6/h8-12,14,18,20,22-25,32H,1,7,13,15H2,2-6H3/t18-,20-,22-,23+,24-,25+,27-,28-,29-,30-/m0/s1
Inchi KeyKVENECVQNDUZLK-GAEFUUMCSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities5.0
Np Likeness Score3.41
Records Key['2', '3']
Records Name['ceramicines C', 'Ceramicine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure