General
Preferred name
MITRAGYNINE
Synonyms
Mitragynine (CRM) ()
Mitragynine-d3 ()
Mitragynine-d3 (CRM) ()
P&D ID
PD016984
CAS
4098-40-2
2135473-75-3
Tags
available
natural product
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Mitragynine is an opioid-related natural product. It is the major bioactive alkaloid component of the herbal leaf known as kratom . Kratom's use as a herbal remedy for pain, anxiety and depression is permitted in some countries, but criminalized in others due to its potential to cause addiction and dependence. (GtoPdb)
Compound Sets
3
AdooQ Bioactive Compound Library
A13974
Cayman Chemical Bioactives
18567
18929
18930
Guide to Pharmacology
13149
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
398.22
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
2
cLogP
3.83
TPSA
63.79
Fraction CSP3
0.52
Chiral centers
3.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data