Molecule

9-{[2-(1H-indol-3-yl)ethyl]amino}-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,?]pentadec-11-en-13-one

AlkaPlorer ID: AK416772

Synonym: None

IUPAC Name: (1S,2S,8S,9S)-9-[2-(1H-indol-3-yl)ethylamino]-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadec-11-en-13-one

Structure

SMILES: O=C1C=C2C[C@H](NCCC3=CNC4=CC=CC=C34)[C@@H]3C[C@@]2(O1)[C@@H]1CCCCN13

InChI: InChI=1S/C23H27N3O2/c27-22-12-16-11-19(20-13-23(16,28-22)21-7-3-4-10-26(20)21)24-9-8-15-14-25-18-6-2-1-5-17(15)18/h1-2,5-6,12,14,19-21,24-25H,3-4,7-11,13H2/t19-,20-,21-,23-/m0/s1

InChIKey: IWVPJLXKLFDSTF-FKEBYFGASA-N

Reference

The alkaloids of Margaritaria indica. Part 2. The structures of 4-epiphyllanthine, margaritarine and the structural revision of securinol A

PubChem CID: 163193093

LOTUS: LTS0179497

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Margaritaria indica	Margaritaria	Phyllanthaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 377.4880000000003

TPSA？: 57.36000000000001

MolLogP？: 2.921100000000001

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi