Natural Products Atlas | Compounds

The Natural Products Atlas

Login

Compounds

COMPOUND NPA003605

STRUCTURE

Image structure

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

EXTERNAL LINKS

PROPERTIES

NPAID	NPA003605
CLUSTER ID	913
NODE ID	790
NAME	22'-Deoxythiocoraline
FORMULA	C48H56N10O11S6
MOLECULAR WEIGHT (Da)	1141.4370
ACCURATE MASS (Da)	1140.2454
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Verrucosispora
ORIGIN SPECIES	sp.
InChIKey	GEWULIBICXBUCB-SQWNXXRCSA-N
InChI	InChI=1S/C48H56N10O11S6/c1-55-33-24-74-75-25-34(45(66)57(3)35(22-70-5)47(68)72-20-31(41(62)49-18-38(55)60)53-43(64)30-16-15-26-11-7-9-13-28(26)51-30)56(2)39(61)19-50-42(63)32(21-73-48(69)36(23-71-6)58(4)46(33)67)54-44(65)40-37(59)17-27-12-8-10-14-29(27)52-40/h7-17,31-36,59H,18-25H2,1-6H3,(H,49,62)(H,50,63)(H,53,64)(H,54,65)/t31-,32-,33+,34+,35+,36?/m1/s1
SMILES	CN1[C@H]2CSSC[C@@H](C(=O)N(C(C(=O)SC[C@H](C(=O)NCC1=O)NC(=O)C3=NC4=CC=CC=C4C=C3O)CSC)C)N(C(=O)CNC(=O)[C@@H](CSC(=O)[C@@H](N(C2=O)C)CSC)NC(=O)C5=NC6=CC=CC=C6C=C5)C

ORIGINAL ISOLATION REFERENCE

CITATION	Wyche, Thomas P.; Hou, Yanpeng; Braun, Doug; Cohen, Hannah C.; Xiong, May P.; Bugni, Tim S. First Natural Analogs of the Cytotoxic Thiodepsipeptide Thiocoraline A from a Marine Verrucosispora sp Journal of Organic Chemistry 2011 76 (16) 6542-6547.
DOI	10.1021/jo200661n	PMID	21736356

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Micromonosporales	LPSN	85008
Family	Micromonosporaceae	LPSN	28056
Genus	Verrucosispora	LPSN	84593

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