Bioactive Compound Details

BioIDbio242
NameCUCURBITACIN C
ChEMBL IDCHEMBL449220
Molecular FormulaC32H48O8
Molecular Weight560.73
Molecular Weight (Monoisotopic)560.3349
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCucurbitacin C
SmilesCC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@@H](O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C
InchiInChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23-,26+,29+,30-,31+,32+/m1/s1
Inchi KeyDGIGXLXLGBAJJN-XOMTXOPZSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score3.13
Records Key['cucurbitacin C']
Records Name['cucurbitacin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure