Natural Products Atlas | Compounds

The Natural Products Atlas

Login

Compounds

COMPOUND NPA001490

STRUCTURE

Image structure

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

EXTERNAL LINKS

PROPERTIES

NPAID	NPA001490
CLUSTER ID	976
NODE ID	694
NAME	Nai414-B
FORMULA	C44H55Cl3N2O10
MOLECULAR WEIGHT (Da)	878.2870
ACCURATE MASS (Da)	876.2922
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Actinoallomurus
ORIGIN SPECIES	sp.
InChIKey	CKYCWTSOOPXLLW-RSGSNRFNSA-N
InChI	InChI=1S/C44H55Cl3N2O10/c1-6-23-19-44-37(52)30(41(56)59-44)36(51)43(7-2)24(12-10-8-9-11-17-42(44,5)20-26(23)40(54)55)14-15-25-27(43)16-13-21(3)35(25)58-29-18-28(50)33(22(4)57-29)49-39(53)34-31(45)32(46)38(47)48-34/h11,14-15,17,20-25,27-29,33,35,48,50-51H,6-10,12-13,16,18-19H2,1-5H3,(H,49,53)(H,54,55)/b17-11-,36-30?/t21-,22+,23-,24+,25-,27-,28+,29-,33+,35-,42-,43+,44+/m0/s1
SMILES	CC[C@H]1C[C@@]23C(=O)C(=C([C@@]4([C@H](CCCC/C=C\[C@]2(C=C1C(=O)O)C)C=C[C@H]5[C@@H]4CC[C@@H]([C@@H]5O[C@H]6C[C@H]([C@@H]([C@H](O6)C)NC(=O)C7=C(C(=C(N7)Cl)Cl)Cl)O)C)CC)O)C(=O)O3

ORIGINAL ISOLATION REFERENCE

CITATION	Mazzetti, Carlo; Ornaghi, Mirko; Gaspari, Eleonora; Parapini, Silvia; Maffioli, Sonia; Sosio, Margherita; Donadio, Stefano Halogenated Spirotetronates from Actinoallomurus Journal of Natural Products 2012 75 (6) 1044-1050.
DOI	10.1021/np300003n	PMID	22616554

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptosporangiales	LPSN	85012
Family	Thermomonosporaceae	LPSN	2012
Genus	Actinoallomurus	LPSN	667113

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