Molecule

Erythraline

AlkaPlorer ID: AK009409

Synonym: None

IUPAC Name: (1S,19R)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaene

Structure

SMILES: CO[C@H]1C=CC2=CCN3CCC4=CC5=C(C=C4[C@]23C1)OCO5

InChI: InChI=1S/C18H19NO3/c1-20-14-3-2-13-5-7-19-6-4-12-8-16-17(22-11-21-16)9-15(12)18(13,19)10-14/h2-3,5,8-9,14H,4,6-7,10-11H2,1H3/t14-,18-/m0/s1

InChIKey: TVOFUERNMZTYRM-KSSFIOAISA-N

Reference

Alkaloidal Constituents of Erythrina crista-galli Flowers

PubChem CID: 5317205

LOTUS: LTS0068969

SuperNatural Ⅲ: SN0361182-02

NPASS: NPC148898

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Helichrysum thapsus	Helichrysum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erythrina variegata	Erythrina	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Eucommia ulmoides	Eucommia	Eucommiaceae	Garryales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erythrina vespertilio	Erythrina	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erythrina velutina	Erythrina	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aspergillus avenaceus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Doona congestiflora	Doona	Dipterocarpaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 297.35400000000004

TPSA？: 30.930000000000003

MolLogP？: 2.3836000000000004

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Jurkat	IC50	5.0	ug.mL-1	10.1016/j.bmcl.2008.10.111
Homo sapiens	Jurkat	IC50	23.0	ug.mL-1	10.1016/j.bmcl.2008.10.111
Homo sapiens	MRC5	IC50	64000.0	nM	10.1016/j.ejmech.2022.114361
Plasmodium falciparum	Plasmodium falciparum	IC50	7300.0	nM	10.1016/j.ejmech.2022.114361