General
Preferred name
CUCURBITACIN E
Synonyms
¦Á-Elaterin ()
¦Á-Elaterine ()
??-Elaterin ()
??-Elaterine ()
α-Elaterin ()
α-Elaterine ()
P&D ID
PD060828
CAS
18444-66-1
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
6
Organisms
0
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
556.3
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
0
cLogP
4.19
TPSA
138.2
Fraction CSP3
0.69
Chiral centers
8.0
Largest ring
6.0
QED
0.26
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Cell Cycle/Checkpoint
Autophagy
Cell Cycle/DNA Damage
Target
CDK1/cyclinB1
CDK
Source data
