Bioactive Compound Details

BioIDbio1214
NameNone
ChEMBL IDCHEMBL2087238
Molecular FormulaC34H24O22
Molecular Weight784.54
Molecular Weight (Monoisotopic)784.0759
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsIso-Oenothein C
SmilesO=C(O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1Oc1c(O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34)c1cc(O)c(O)c(O)c1
InchiInChI=1S/C34H24O22/c35-6-16-22(44)28(55-30(46)7-1-11(36)19(41)12(37)2-7)29(34(50)51-16)56-33(49)10-5-13(38)20(42)23(45)24(10)52-25-15(40)4-9-18-17-8(32(48)54-27(18)25)3-14(39)21(43)26(17)53-31(9)47/h1-5,16,22,28-29,34-45,50H,6H2/t16-,22-,28+,29-,34?/m1/s1
Inchi KeyVPHSKHMZOVJSHM-DCDOHTAFSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score1.51
Records Key['3, isomeric mixture']
Records Name['iso-oenothein C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure