Bioactive Compound Details

BioIDbio1536
NameNODULISPORIC ACID C SODIUM
ChEMBL IDCHEMBL448174
Molecular FormulaC43H56NNaO5
Molecular Weight689.91
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.[Na+]
InchiInChI=1S/C43H57NO5.Na/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);/q;+1/p-1/b18-11+,24-12+;/t25-,31-,32-,34+,36+,41-,42-,43+;/m0./s1
Inchi KeyQQKHESJOXVWRFX-YZMPCWECSA-M
Molecular SpeciesACID
Targets3.0
Bioactivities3.0
Np Likeness Score3.1
Records Key['4b']
Records Name['nodulisporic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure