Bioactive Compound Details

BioIDbio494
NameLUCENSIMYCIN C
ChEMBL IDCHEMBL538202
Molecular FormulaC29H34O10
Molecular Weight542.58
Molecular Weight (Monoisotopic)542.2152
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLucensimycin C
SmilesC=C(OC(=O)[C@@H]1C(=O)[C@@]2(C)[C@@H](C=C[C@H]3[C@H](O)[C@@H](C)[C@H](OC(C)=O)C[C@@H]32)C[C@H]1/C=C/C=C/C=C/C(=O)O)C(=O)O
InchiInChI=1S/C29H34O10/c1-15-22(39-17(3)30)14-21-20(25(15)33)12-11-19-13-18(9-7-5-6-8-10-23(31)32)24(26(34)29(19,21)4)28(37)38-16(2)27(35)36/h5-12,15,18-22,24-25,33H,2,13-14H2,1,3-4H3,(H,31,32)(H,35,36)/b6-5+,9-7+,10-8+/t15-,18+,19-,20+,21-,22+,24-,25+,29-/m0/s1
Inchi KeyHWOQCCLLSGFOCF-QDMUNGEASA-N
Molecular SpeciesACID
Targets7.0
Bioactivities7.0
Np Likeness Score2.47
Records Key['3']
Records Name['lucensimycin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure