Natural Products Atlas | Compounds

The Natural Products Atlas

Login

Compounds

COMPOUND NPA020306

STRUCTURE

Image structure

EXPORT OPTIONS	PNG JSON SDF
PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA020306
CLUSTER ID	6436
NODE ID	4449
NAME	Tilivalline
FORMULA	C20H19N3O2
MOLECULAR WEIGHT (Da)	333.3910
ACCURATE MASS (Da)	333.1477
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Klebsiella
ORIGIN SPECIES	pneumoniae
InChIKey	AJZNARCWDDMOPL-WMZOPIPTSA-N
InChI	InChI=1S/C20H19N3O2/c24-17-9-3-6-13-19(17)22-18(16-8-4-10-23(16)20(13)25)14-11-21-15-7-2-1-5-12(14)15/h1-3,5-7,9,11,16,18,21-22,24H,4,8,10H2/t16-,18-/m0/s1
SMILES	C1C[C@H]2[C@@H](NC3=C(C=CC=C3O)C(=O)N2C1)C4=CNC5=CC=CC=C54

ORIGINAL ISOLATION REFERENCE

CITATION	Mohr, N; Budzikiewicz, H Tilivalline, a new pyrrolo[2, 1-c][1,4] benzodiazepine metabolite from klebsiella Tetrahedron 1982 38 (1) 147-152.
DOI	10.1016/0040-4020(82)85058-8	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Enterobacterales	LPSN	91347
Family	Enterobacteriaceae	LPSN	543
Genus	Klebsiella	LPSN	570

SYNTHESES

CITATION 1	Dornisch E; Pletz J; Glabonjat RA; Martin F; Lembacher-Fadum C; Neger M; Högenauer C; Francesconi K; Kroutil W; Zangger K; Breinbauer R; Zechner EL Biosynthesis of the Enterotoxic Pyrrolobenzodiazepine Natural Product Tilivalline. Angewandte Chemie International Edition 2017 56 (46) 14753-14757. DOI: 10.1002/anie.201707737 PMID: 28977734

CLASSYFIRE

Show		Hide
DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

Show		Hide
SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

If you encounter an issue on the website, please submit a bug report, feature request, or general issue through the issue tracker on GitHub.

Made with ♥ using Python

DB Version: 2024_09

Website Version: 3.0.2

Creative Commons License

The Natural Products Atlas is licensed under a Creative Commons Attribution-Noncommercial 4.0 International License.

Back to top of page