Molecule

3-Demethoxy-2,3-methylenedioxyerythroculine; Parent acid, amide

AlkaPlorer ID: AK294743

Synonym: 15-Amido-3-demethoxy-2,3-methylenedioxyerythroculine

IUPAC Name: 17-methoxy-4,6-dioxa-12-azapentacyclo[10.8.0.01,9.03,7.015,20]icosa-8,15,17,19-tetraene-18-carboxamide

Structure

SMILES: COC1=CC2=C(C=C1C(=N)O)C13CC4OCOC4C=C1CCN3CC2

InChI: InChI=1S/C19H22N2O4/c1-23-15-6-11-2-4-21-5-3-12-7-16-17(25-10-24-16)9-19(12,21)14(11)8-13(15)18(20)22/h6-8,16-17H,2-5,9-10H2,1H3,(H2,20,22)

InChIKey: QCGHEAJFTHQMHI-UHFFFAOYSA-N

Reference

Isolation, Structure Elucidation, and Biological Evaluation of 15-Amido-3-demethoxy-2α,3α-methylenedioxyerythroculine, a New Alkaloid from <i>Hyperbaena valida</i>

PubChem CID: 73240853

LOTUS: LTS0088804

COCONUT: CNP0106577.2

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Hyperbaena	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 342.3950000000001

TPSA？: 75.01

MolLogP？: 2.10727

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi