Molecule

kopsinine

AlkaPlorer ID: AK001740

Synonym: '16-Epikopsinine', '', '(-)-Kopsinine', 'Kopsinine', 'Aspidofractinine-3-carboxylic acid, methyl ester,(2alpha,3beta,5alpha)-', '2,21-cycloaspidospermidine-3-carboxylic acid, methyl ester, (3beta,5alpha,12beta,19alpha)-'

IUPAC Name: methyl (1R,9R,16R,18R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate

Structure

SMILES: COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(C6=CC=CC=C6N[C@]15CC2)[C@@H]43

InChI: InChI=1S/C21H26N2O2/c1-25-17(24)15-13-19-7-4-11-23-12-10-20(18(19)23)14-5-2-3-6-16(14)22-21(15,20)9-8-19/h2-3,5-6,15,18,22H,4,7-13H2,1H3/t15-,18-,19+,20+,21+/m0/s1

InChIKey: IYLRRIUNGGQRTN-NWRWZVFGSA-N

Reference

The isolation and characterization of indole alkaloids from the fruits of Kopsia officinalis

PubChem CID: 7069830

LOTUS: LTS0065791

SuperNatural Ⅲ: SN0158709-21

NPASS: NPC9713

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Senecio halimifolius	Senecio	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Prismatomeris sessiliflora	Prismatomeris	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces albospinus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Kopsia grandifolia	Kopsia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Coleus xanthanthus	Coleus	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Robinia pseudoacacia	Robinia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lethariella sernanderi	Lethariella	Parmeliaceae	Lecanorales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Artemisia cana	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lecocarpus pinnatifidus	Lecocarpus	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Callitris rhomboidea	Callitris	Cupressaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Psilocybe baeocystis	Psilocybe	Strophariaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Alexandrium ostenfeldii	Alexandrium	Pyrocystaceae	Gonyaulacales	Dinophyceae	None	None	Eukaryota
Vepris uguenensis	Vepris	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Solaster endeca	Solaster	Solasteridae	Velatida	Asteroidea	Echinodermata	Metazoa	Eukaryota
Scutellaria glabrata	Scutellaria	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 338.4510000000001

TPSA？: 41.57

MolLogP？: 2.929900000000001

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Rattus norvegicus	Aortic artery	EC50	10000.0	nM	10.1021/acs.jnatprod.9b00925