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Compounds

COMPOUND NPA018864

STRUCTURE
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PROPERTIES
NPAID NPA018864
CLUSTER ID 26
NODE ID 25
NAME Similanamide
FORMULA C34H52N6O6
MOLECULAR WEIGHT (Da) 640.8260
ACCURATE MASS (Da) 640.3948
ORIGIN ORGANISM TYPE Fungus
ORIGIN GENUS Aspergillus
ORIGIN SPECIES similanensis KUFA 0013
InChIKey MFLJIVQNUIVQOL-IVMOBWQFSA-N
InChI InChI=1S/C34H52N6O6/c1-19(2)17-25-30(42)38-28(21(5)6)32(44)36-24-14-10-9-13-23(24)33(45)40-16-12-11-15-26(40)34(46)39(8)27(18-20(3)4)31(43)35-22(7)29(41)37-25/h9-10,13-14,19-22,25-28H,11-12,15-18H2,1-8H3,(H,35,43)(H,36,44)(H,37,41)(H,38,42)/t22-,25+,26+,27-,28-/m1/s1
SMILES CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCCN2C(=O)C2=CC=CC=C2NC(=O)[C@@H](C(C)C)NC1=O
ORIGINAL ISOLATION REFERENCE
CITATION Prompanya, Chadaporn; Fernandes, Carla; Cravo, Sara; Pinto, Madalena M. M.; Dethoup, Tida; Silva, Artur M. S.; Kijjoa, Anake A new cyclic hexapeptide and a new isocoumarin derivative from the marine sponge-associated fungus Aspergillus similanensis KUFA 0013 Marine Drugs 2015 13 (3) 1432-1450.
DOI 10.3390/md13031432 PMID 25789601
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Eukarya - 2759
Kingdom Fungi MycoBank 4751
Phylum Ascomycota MycoBank 4890
Class Eurotiomycetes MycoBank 147545
Order Eurotiales MycoBank 5042
Family Aspergillaceae MycoBank 1131492
Genus Aspergillus MycoBank 5052
SYNTHESES
CITATION 1 Masuda Y; Tanaka R; Ganesan A; Doi T Structure Revision of Similanamide to PF1171C by Total Synthesis. Journal of Natural Products 2015 78 (9) 2286-2291. DOI: 10.1021/acs.jnatprod.5b00643 PMID: 26348363
REVISIONS
VERSION SMILES CITATION
Original Isolation C[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)NC2=CC=CC=C2C(=O)N3CCCC[C@@H]3C(=O)N([C@H](C(=O)N1)CC(C)C)C)C(C)C)CC(C)C Prompanya, Chadaporn; Fernandes, Carla; Cravo, Sara; Pinto, Madalena M. M.; Dethoup, Tida; Silva, Artur M. S.; Kijjoa, Anake A new cyclic hexapeptide and a new isocoumarin derivative from the marine sponge-associated fungus Aspergillus similanensis KUFA 0013 Marine Drugs 2015 13 (3) 1432-1450. DOI: 10.3390/md13031432 PMID: 25789601
2 CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCCN2C(=O)C2=CC=CC=C2NC(=O)[C@@H](C(C)C)NC1=O Masuda Y; Tanaka R; Ganesan A; Doi T Structure Revision of Similanamide to PF1171C by Total Synthesis. Journal of Natural Products 2015 78 (9) 2286-2291. DOI: 10.1021/acs.jnatprod.5b00643 PMID: 26348363
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