Molecule

Enniatin B4

AlkaPlorer ID: AK047694

Synonym: None

IUPAC Name: (3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3-(2-methylpropyl)-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[C@H]1C(=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)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C

InChI: InChI=1S/C34H59N3O9/c1-17(2)16-23-32(41)44-27(21(9)10)30(39)36(14)25(19(5)6)34(43)46-28(22(11)12)31(40)37(15)24(18(3)4)33(42)45-26(20(7)8)29(38)35(23)13/h17-28H,16H2,1-15H3/t23-,24-,25-,26+,27+,28+/m0/s1

InChIKey: PKDCQKBQAKLZBD-SCUYQTRWSA-N

Reference

Unusual enniatins produced by the insect pathogenic fungus Verticillium hemipterigenum: isolation and studies on precursor-directed biosynthesis

PubChem CID: 3010886

LOTUS: LTS0169152

SuperNatural Ⅲ: SN0287569-02

NPASS: NPC263281

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
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: 653.8580000000002

TPSA？: 139.83000000000004

MolLogP？: 3.542500000000004

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	50.0	ug ml-1	10.1021/np0340448
Botrytis cinerea	Botrytis cinerea	MIC	100.0	ug.mL-1	10.1021/np0340448