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Enniatin J1

AlkaPlorer ID: AK017364

Synonym: None

IUPAC Name: (3S,6R,9S,12R,15S,18R)-3,4,10,16-tetramethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

Structure

SMILES: CC(C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C

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InChI: InChI=1S/C31H53N3O9/c1-15(2)21-30(39)42-23(17(5)6)26(35)32(12)20(11)29(38)41-24(18(7)8)27(36)33(13)22(16(3)4)31(40)43-25(19(9)10)28(37)34(21)14/h15-25H,1-14H3/t20-,21-,22-,23+,24+,25+/m0/s1

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InChIKey: IEUFDXNGDNWAKU-MAKNZWJESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Alpinia blepharocalyx Alpinia Zingiberaceae Zingiberales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Fusarium sp. F31 Fusarium Nectriaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota
Hylocomium splendens Hylocomium Hylocomiaceae Hypnales Bryopsida Streptophyta Viridiplantae Eukaryota
Balanops australiana Balanops Balanopaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Monodora tenuifolia Monodora Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aspergillus carneus Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota
Aonidiella aurantii Aonidiella Diaspididae Hemiptera Insecta Arthropoda Metazoa Eukaryota
Viguiera decurrens Viguiera Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pinus strobus Pinus Pinaceae Pinales Pinopsida Streptophyta Viridiplantae Eukaryota
Aldisa sanguinea Aldisa Dorididae Nudibranchia Gastropoda Mollusca Metazoa Eukaryota
Pseudoplexaura flagellosa Pseudoplexaura Plexauridae Malacalcyonacea Anthozoa Cnidaria Metazoa Eukaryota
Penicillium janczewskii Penicillium Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota
Pinus sylvestris Pinus Pinaceae Pinales Pinopsida Streptophyta Viridiplantae Eukaryota
Kokoona reflexa Kokoona Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Fusarium sp. Fusarium Nectriaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota
Pluchea odorata Pluchea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Salacia lehmbachii Salacia Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Millettia laurentii Millettia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aspergillus striatus Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota
Euphorbia cornigera Euphorbia Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Salvia yosgadensis Salvia Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Melolontha melolontha Melolontha Scarabaeidae Coleoptera Insecta Arthropoda Metazoa Eukaryota
Sideroxylon cubense Sideroxylon Sapotaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Anguilla japonica Anguilla Anguillidae Anguilliformes Actinopteri Chordata Metazoa Eukaryota
Aplysina archeri Aplysina Aplysinidae Verongiida Demospongiae Porifera Metazoa Eukaryota
Alcea rosea Alcea Malvaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Maesa ramentacea Maesa Primulaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Euonymus tingens Euonymus Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ocimum tenuiflorum Ocimum Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 611.7770000000002

TPSA？: 139.83000000000004

MolLogP？: 2.516300000000004

Number of H-Donors: 0

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Botrytis cinerea Botrytis cinerea Activity 100.0 ug ml-1 10.1021/np0340448
Botrytis cinerea Botrytis cinerea MIC 100.0 ug.mL-1 10.1021/np0340448

Metabolism Information