Bioactive Compound Details

BioIDbio230
NameMAOECRYSTAL C
ChEMBL IDCHEMBL2088266
Molecular FormulaC20H26O5
Molecular Weight346.42
Molecular Weight (Monoisotopic)346.178
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMaoecrystal C
SmilesC=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H]4C(C)(C)C=CC5=O)[C@]3(C2)[C@@H]1O
InchiInChI=1S/C20H26O5/c1-10-11-4-5-12-18-9-25-20(24,19(12,8-11)15(10)22)16(23)14(18)17(2,3)7-6-13(18)21/h6-7,11-12,14-16,22-24H,1,4-5,8-9H2,2-3H3/t11-,12+,14-,15-,16+,18-,19+,20-/m1/s1
Inchi KeyAYICIQWCTWRIFH-QQSVSSDMSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities10.0
Np Likeness Score4.04
Records Key['7']
Records Name['maoecrystal C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure