Molecule

Erysotrine; O15-De-Me, O-(carboxymethylsulfonyl)

AlkaPlorer ID: AK297773

Synonym: Erysothiovine

IUPAC Name: 2-[(2,11-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-12-yl)oxysulfonyl]acetic acid

Structure

SMILES: COC1=C(OS(=O)(=O)CC(=O)O)C=C2C(=C1)CCN1CC=C3C=CC(OC)CC321

InChI: InChI=1S/C20H23NO7S/c1-26-15-4-3-14-6-8-21-7-5-13-9-17(27-2)18(10-16(13)20(14,21)11-15)28-29(24,25)12-19(22)23/h3-4,6,9-10,15H,5,7-8,11-12H2,1-2H3,(H,22,23)

InChIKey: TZPLXTDTCOMZQQ-UHFFFAOYSA-N

Reference

Erythrina Alkaloids. XIV. Isolation and Characterization of Erysothiovine and Erysothiopine, New Alkaloids Containing Sulfur<sup>1a</sup>

PubChem CID: 12308894

CAS: 466-79-5

LOTUS: LTS0076902

COCONUT: CNP0248090.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Erythrina pallida	Erythrina	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erythrina poeppigiana	Erythrina	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Erythrina	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Erythrina	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 421.4710000000002

TPSA？: 102.37

MolLogP？: 1.4567

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi