Molecule

UNPD146503

AlkaPlorer ID: AK518227

Synonym: None

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

Structure

SMILES: CC[C@@H]1CN2CC[C@]3(O)C(=NC4=CC=CC(OC)=C43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC

InChI: InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23-/m1/s1

InChIKey: RYENLSMHLCNXJT-DYJWESFNSA-N

Reference

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

PubChem CID: 102185145

LOTUS: LTS0220017

Source

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

Properties Information

Molecule Weight: 414.5020000000002

TPSA？: 80.59000000000002

MolLogP？: 2.792600000000001

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi