General
Preferred name
PD014682
Synonyms
Naphtho(1,2-b)furan-2,8(3h,4h)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3s-(3alpha,3aalpha,5abeta,9bbeta))- ()
P&D ID
PD014682
CAS
481-06-1
1618-78-6
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
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
246.13
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
0
cLogP
2.42
TPSA
43.37
Fraction CSP3
0.6
Chiral centers
4.0
Largest ring
6.0
QED
0.62
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
