General
Preferred name
HARMALOL
Synonyms
HARMALOL HYDROCHLORIDE DIHYDRATE ()
Harmidol ()
Harmalol (hydrochloride) ()
Harmalol HCl ()
HARMALOL HYDROCHLORIDE ()
Harmalol (hydrochloride hydrate) ()
P&D ID
PD029512
CAS
6028-07-5
525-57-5
6028-00-8
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
1
Organisms
0
Compound Sets
4
Cayman Chemical Bioactives
36090
35145
MedChem Express Bioactive Compound Library
HY-N2625A
TargetMol Bioactive Compound Library
T8770
The Spectrum Collection
External IDs
43
Properties
(calculated by RDKit )
Molecular Weight
200.09
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
2
cLogP
2.24
TPSA
48.38
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Pathway
Neuroscience
Metabolic Enzyme/Protease
Target
AChR
Cytochrome P450
Source data