Bioactive Compound Details

BioIDbio165
NameDECATURIN C
ChEMBL IDCHEMBL517063
Molecular FormulaC30H35NO5
Molecular Weight489.61
Molecular Weight (Monoisotopic)489.2515
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDecaturin C
SmilesCC1=CC[C@@H]2[C@]34CC[C@](O)(OC3)C(C)(C)[C@@H]4CC[C@@]2(C)[C@]12Cc1c(cc(-c3cccnc3)oc1=O)O2
InchiInChI=1S/C30H35NO5/c1-18-7-8-24-27(4,10-9-23-26(2,3)30(33)12-11-28(23,24)17-34-30)29(18)15-20-22(36-29)14-21(35-25(20)32)19-6-5-13-31-16-19/h5-7,13-14,16,23-24,33H,8-12,15,17H2,1-4H3/t23-,24-,27+,28+,29-,30-/m0/s1
Inchi KeyVVYVYDOUCPUFSI-XHVWOXFNSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.43
Records Key['7']
Records Name['decaturin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure