Bioactive Compound Details

BioIDbio1544
NameNODULISPORIC ACID C
ChEMBL IDCHEMBL473525
Molecular FormulaC43H57NO5
Molecular Weight667.93
Molecular Weight (Monoisotopic)667.4237
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNodulisporic Acid C
SmilesCC(C)=CCc1c2c(cc3c4c([nH]c13)[C@@]1(C)[C@@H](CC[C@H]3[C@](C)(/C=C/C=C(\C)C(=O)O)[C@@H](O)CC[C@@]31C)C4)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]2O
InchiInChI=1S/C43H57NO5/c1-23(2)13-15-26-33-27(30-22-39(4,5)49-40(6,7)34(30)36(33)46)21-28-29-20-25-14-16-31-41(8,18-11-12-24(3)38(47)48)32(45)17-19-42(31,9)43(25,10)37(29)44-35(26)28/h11-13,18,21-22,25,31-32,34,36,44-46H,14-17,19-20H2,1-10H3,(H,47,48)/b18-11+,24-12+/t25-,31-,32-,34+,36+,41-,42-,43+/m0/s1
Inchi KeyKYJMIMWHTSJVQB-GQQOVJSASA-N
Molecular SpeciesACID
Targets2.0
Bioactivities2.0
Np Likeness Score3.1
Records Key['4']
Records Name['nodulisporic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure