General
Preferred name
OKADAIC ACID
Synonyms
9,10-Deepithio-9,10-Didehydroacanthifolicin ()
P&D ID
PD040551
CAS
78111-17-8
Tags
drug candidate
natural product
probe
available
Drug indication
Discovery agent
Drug Status
experimental
Probe info
Probe selectivity
protein-selective
Probe type
calculated probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
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
4
Organisms
0
Compound Sets
4
DrugBank
DrugMAP
Guide to Pharmacology
Probe Miner (suitable probes)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
804.47
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
5
Rotatable Bonds
10
Ring Count
7
Aromatic Ring Count
0
cLogP
5.21
TPSA
182.83
Fraction CSP3
0.84
Chiral centers
17.0
Largest ring
6.0
QED
0.18
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
