Molecule

Fumaramine

AlkaPlorer ID: AK166427

Synonym: ''

IUPAC Name: 6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]isoindol-8-one

Structure

SMILES: CN(C)CCC1=CC2=C(C=C1C=C1NC(=O)C3=C4OCOC4=CC=C13)OCO2

InChI: InChI=1S/C21H20N2O5/c1-23(2)6-5-12-8-17-18(27-10-26-17)9-13(12)7-15-14-3-4-16-20(28-11-25-16)19(14)21(24)22-15/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,22,24)

InChIKey: ZURFNKDWDFKHSG-UHFFFAOYSA-N

Reference

Alkaloids of Fumaria vaillantii

PubChem CID: 3082310

CAS: 30341-99-2

LOTUS: LTS0142867

NPASS: NPC186177

COCONUT: CNP0273894

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Bursatella leachii	Bursatella	Aplysiidae	Aplysiida	Gastropoda	Mollusca	Metazoa	Eukaryota
Chaetomium cochliodes	Chaetomium	Chaetomiaceae	Sordariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Sabia schumanniana	Sabia	Sabiaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Kopsia arborea	Kopsia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 380.4000000000002

TPSA？: 69.26000000000002

MolLogP？: 2.4896000000000003

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi