Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

770519 - Overview - Compound Synopsis

Synonyms
Y01
Molecular Formula
C31H50O4
InChI
InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
Smiles
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C
Cross References
UniChem641450
canSAR770519
PDBe (Protein Data Bank Europe)Y01
ChEMBLCHEMBL1236880
Commercially Available
Yes


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 486.370910087.80441485Yes


Compounds with the same scaffold


Image of compound ID: 770519
Murko Scaffold Family: 7155 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12