Bioactive Compound Details

BioIDbio1341
NameNEOCYCLOCITRINOL C
ChEMBL IDCHEMBL524981
Molecular FormulaC25H36O4
Molecular Weight400.56
Molecular Weight (Monoisotopic)400.2614
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNeocyclocitrinol C
SmilesC/C(=C\[C@@H](O)[C@H](C)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C
InchiInChI=1S/C25H36O4/c1-14(10-23(28)15(2)26)21-6-7-22-20-13-24(29)17-11-16(4-5-18(27)12-17)19(20)8-9-25(21,22)3/h4,10,13,15,17-19,21-23,26-28H,5-9,11-12H2,1-3H3/b14-10+/t15-,17-,18-,19+,21+,22-,23+,25+/m0/s1
Inchi KeyHDGOYEAHQQCXLC-BFHGYSRFSA-N
Molecular SpeciesNEUTRAL
Targets19.0
Bioactivities24.0
Np Likeness Score3.15
Records Key['11', '13']
Records Name['Neocyclocitrinol C', 'neocyclocitrinol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure