General
Preferred name
CHRYSOSPLENOL D
Synonyms
Quercetagetin 3,6,7-Trimethyl Ether ()
P&D ID
PD164914
CAS
14965-20-9
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 ]]
Compound Sets
1
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
360.08
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
3
cLogP
2.6
TPSA
118.59
Fraction CSP3
0.17
Chiral centers
0.0
Largest ring
6.0
QED
0.61
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Source data
