Molecule

UNPD161189

AlkaPlorer ID: AK417226

Synonym: None

IUPAC Name: methyl 2-(6'-ethyl-4-hydroxy-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl)-3-methoxyprop-2-enoate

Structure

SMILES: CCC1CN2CCC3(C(O)=NC4=CC=CC(O)=C43)C2CC1C(=COC)C(=O)OC

InChI: InChI=1S/C22H28N2O5/c1-4-13-11-24-9-8-22(19-16(23-21(22)27)6-5-7-17(19)25)18(24)10-14(13)15(12-28-2)20(26)29-3/h5-7,12-14,18,25H,4,8-11H2,1-3H3,(H,23,27)

InChIKey: IXWWTVSMMIIIFZ-UHFFFAOYSA-N

Reference

THE MITRAGYNA SPECIES OF ASIA – Part IV. The alkaloids of the leaves of<i>Mitragyna speciosa</i>Korth.. Isolation of Mitragynine and Speciofoline<sup>1</sup>

PubChem CID: 634020

CAS: 55903-80-5

LOTUS: LTS0198353

COCONUT: CNP0373272.19

Source

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

Properties Information

Molecule Weight: 400.47500000000025

TPSA？: 91.59000000000002

MolLogP？: 3.0553000000000017

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi