Molecule

Mitragynine

AlkaPlorer ID: AK004931

Synonym: '', 'Speciogynine', 'Mitragynine', 'Speciogynin', 'Speciociliatine', 'Speciociliatin'

IUPAC Name: methyl (E)-2-[(2S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

Structure

SMILES: CCC1CN2CCC3=C(NC4=C3C(OC)=CC=C4)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC

InChI: 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-/m0/s1

InChIKey: LELBFTMXCIIKKX-STILVGNPSA-N

Reference

A new indole alkaloid, 7-hydroxyspeciociliatine, from the fruits of Malaysian Mitragyna speciosa and its opioid agonistic activity

PubChem CID: 57856495

LOTUS: LTS0083391

NPASS: NPC34408

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Mitragyna speciosa	Mitragyna	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 398.5030000000002

TPSA？: 63.790000000000006

MolLogP？: 3.8251000000000026

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi