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Compounds

COMPOUND NPA000643

STRUCTURE

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PROPERTIES

NPAID	NPA000643
CLUSTER ID	473
NODE ID	424
NAME	Mycoleptodiscin A
FORMULA	C23H29NO2
MOLECULAR WEIGHT (Da)	351.4900
ACCURATE MASS (Da)	351.2198
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Mycoleptodiscus
ORIGIN SPECIES	sp. F0194
InChIKey	QQSKDUQABBXCAA-DODAUVCRSA-N
InChI	InChI=1S/C23H29NO2/c1-21(2)7-5-8-23(4)16(21)6-9-22(3)14-11-15(25)20(26)19-18(14)13(12-24-19)10-17(22)23/h11-12,16-17,24H,5-10H2,1-4H3/t16-,17-,22-,23-/m0/s1
SMILES	C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC4=CNC5=C4C3=CC(=O)C5=O)C)(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Ortega, Humberto E.; Graupner, Paul R.; Asai, Yumi; Tendyke, Karen; Qiu, Dayong; Shen, Young Yongchun; Rios, Nivia; Arnold, A. Elizabeth; Coley, Phyllis D.; Kursar, Thomas A.; Gerwick, William H.; Cubilla-Rios, Luis Mycoleptodiscins A and B, cytotoxic alkaloids from the endophytic fungus Mycoleptodiscus sp. F0194 Journal of Natural Products 2013 76 (4) 741-744.
DOI	10.1021/np300792t	PMID	23560689

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Muyocopronales	MycoBank	2576765
Family	Muyocopronaceae	MycoBank	1866852
Genus	Mycoleptodiscus	MycoBank	60494

SYNTHESES

CITATION 1	Dethe DH; Sau SK; Mahapatra S Biomimetic Enantioselective Total Synthesis of (-)-Mycoleptodiscin A. Organic Letters 2016 18 (24) 6392-6395. DOI: 10.1021/acs.orglett.6b03292 PMID: 27978704
CITATION 2	Zhou S; Chen H; Luo Y; Zhang W; Li A Asymmetric total synthesis of mycoleptodiscin A. Angewandte Chemie International Edition 2015 54 (23) 6878-6882. DOI: 10.1002/anie.201501021 PMID: 25907827

CLASSYFIRE

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

NP CLASSIFIER

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

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