Molecule

Erysotrine

AlkaPlorer ID: AK009422

Synonym: None

IUPAC Name: (2R,13bS)-2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline

Structure

SMILES: COC1=C(OC)C=C2C(=C1)CCN1CC=C3C=C[C@H](OC)C[C@]321

InChI: InChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3/t15-,19-/m0/s1

InChIKey: WXVSPYOOFCCEII-KXBFYZLASA-N

Reference

Anti-HIV-1 and cytotoxicity of the alkaloids of<i>Erythrina abyssinica</i>Lam. growing in Sudan

PubChem CID: 442219

CAS: 27740-43-8

LOTUS: LTS0212610

SuperNatural Ⅲ: SN0422950-01

NPASS: NPC130926

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Smallanthus fruticosus	Smallanthus	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erythrina suberosa	Erythrina	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erythrina velutina	Erythrina	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rissoella verruculosa	Rissoella	Rissoellaceae	Gigartinales	Florideophyceae	Rhodophyta	None	Eukaryota
Osmundaria fimbriata	Osmundaria	Rhodomelaceae	Ceramiales	Florideophyceae	Rhodophyta	None	Eukaryota

Properties Information

Molecule Weight: 313.39700000000005

TPSA？: 30.930000000000003

MolLogP？: 2.6721000000000013

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Jurkat	IC50	7.2	ug.mL-1	10.1016/j.bmcl.2008.10.111
Homo sapiens	Jurkat	IC50	50.0	ug.mL-1	10.1016/j.bmcl.2008.10.111
Homo sapiens	Jurkat	Inhibition	45.0	%	10.1016/j.bmcl.2008.10.111
Homo sapiens	MRC5	IC50	64000.0	nM	10.1016/j.ejmech.2022.114361
Homo sapiens	Neuronal acetylcholine receptor; alpha4/beta2	Ki	600.0	nM	10.1021/acs.jmedchem.7b01895
Homo sapiens	Neuronal acetylcholine receptor; alpha4/beta2	Ki	600.0	nM	10.1021/jm4013592
Plasmodium falciparum	Plasmodium falciparum	IC50	20600.0	nM	10.1016/j.ejmech.2022.114361