Molecule

Kopsinine

AlkaPlorer ID: AK001742

Synonym: None

IUPAC Name: methyl (9R,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]1CC23CCCN4CC[C@@]5(C6=CC=CC=C6NC15CC2)[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-WYAINXOJSA-N

Reference

Absolute configuration of C-16 of eburnane alkaloids from Kopsia larutensis

PubChem CID: 21123851

LOTUS: LTS0096935

NPASS: NPC282339

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspidosperma multiflorum	Aspidosperma	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hunteria zeylanica	Hunteria	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Kopsia fruticosa	Kopsia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Alstonia venenata	Alstonia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pleiocarpa mutica	Pleiocarpa	Apocynaceae	Gentianales	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
None	Epidermoid carcinoma cell line	IC50	25.0	ug.mL-1	10.1016/s0960-894x(98)00486-7