U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30N2O4
Molecular Weight 398.4953
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MITRAGYNINE

SMILES

[H][C@@]12C[C@@H]([C@H](CC)CN1CCC3=C2NC4=C3C(OC)=CC=C4)C(=C/OC)\C(=O)OC

InChI

InChIKey=LELBFTMXCIIKKX-QVRQZEMUSA-N
InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1

HIDE SMILES / InChI
Molecular Formula C23H30N2O4
Molecular Weight 398.4953
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:25:16 UTC 2023
Edited
by admin
on Fri Dec 15 15:25:16 UTC 2023
Record UNII
EP479K822J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MITRAGYNINE
MI   WHO-DD  
Common Name English
INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-METHOXY-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3S,12BS)-
Systematic Name English
9-METHOXYCORYNANTHEIDINE
Common Name English
Mitragynine [WHO-DD]
Common Name English
(-)-MITRAGYNINE
Common Name English
(.ALPHA.E,2S,3S,12.BETA.S)-3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-METHOXY-.ALPHA.-(METHOXYMETHYLENE)-INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID METHYL ESTER
Common Name English
MITRAGYNINE [MI]
Common Name English
MITRAGYNIN
Common Name English
Code System Code Type Description
MERCK INDEX
m7573
Created by admin on Fri Dec 15 15:25:16 UTC 2023 , Edited by admin on Fri Dec 15 15:25:16 UTC 2023
PRIMARY Merck Index
PUBCHEM
3034396
Created by admin on Fri Dec 15 15:25:16 UTC 2023 , Edited by admin on Fri Dec 15 15:25:16 UTC 2023
PRIMARY
MESH
C001801
Created by admin on Fri Dec 15 15:25:16 UTC 2023 , Edited by admin on Fri Dec 15 15:25:16 UTC 2023
PRIMARY
SMS_ID
100000136870
Created by admin on Fri Dec 15 15:25:16 UTC 2023 , Edited by admin on Fri Dec 15 15:25:16 UTC 2023
PRIMARY
CAS
6202-22-8
Created by admin on Fri Dec 15 15:25:16 UTC 2023 , Edited by admin on Fri Dec 15 15:25:16 UTC 2023
SUPERSEDED
EPA CompTox
DTXSID701032140
Created by admin on Fri Dec 15 15:25:16 UTC 2023 , Edited by admin on Fri Dec 15 15:25:16 UTC 2023
PRIMARY
FDA UNII
EP479K822J
Created by admin on Fri Dec 15 15:25:16 UTC 2023 , Edited by admin on Fri Dec 15 15:25:16 UTC 2023
PRIMARY
WIKIPEDIA
MITRAGYNINE
Created by admin on Fri Dec 15 15:25:16 UTC 2023 , Edited by admin on Fri Dec 15 15:25:16 UTC 2023
PRIMARY
EVMPD
SUB75071
Created by admin on Fri Dec 15 15:25:16 UTC 2023 , Edited by admin on Fri Dec 15 15:25:16 UTC 2023
PRIMARY
CAS
4098-40-2
Created by admin on Fri Dec 15 15:25:16 UTC 2023 , Edited by admin on Fri Dec 15 15:25:16 UTC 2023
PRIMARY
HSDB
7901
Created by admin on Fri Dec 15 15:25:16 UTC 2023 , Edited by admin on Fri Dec 15 15:25:16 UTC 2023
PRIMARY
Related Record Type Details
MU-TYPE OPIOID RECEPTOR
TARGET -> AGONIST
MITRAGYNA SPECIOSA LEAF
PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT
60% of alkaloid extractions
WEIGHT PERCENT
Related Record Type Details
Structure of 9-O-DEMETHYLMITRAGYNINE SULFATE ESTER
METABOLITE INACTIVE -> PARENT
URINE
Structure of MITRAGYNINE PSEUDOINDOXYL
METABOLITE ACTIVE -> PARENT
Structure of 9-O-DEMETHYLMITRAGYNINE GLUCORONIDE
METABOLITE INACTIVE -> PARENT
URINE
Structure of 9-O-DEMETHYLMITRAGYNINE
METABOLITE -> PARENT
URINE
Structure of 7-HYDROXYMITRAGYNINE
METABOLITE ACTIVE -> PARENT
Structure of 17-CARBOXY-16,17-DIHYDROMITRAGYNINE
METABOLITE -> PARENT
Related Record Type Details
Structure of MITRAGYNINE
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966