Enniatin B1
AlkaPlorer ID: AK023736
Synonym: None
IUPAC Name: (3S,6R,9S,12R,15S,18R)-3-[(2S)-butan-2-yl]-4,10,16-trimethyl-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@H](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/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22-,23-,24-,25-,26+,27+,28+/m0/s1
InChIKey: UQCSETXJXJTMKO-UMURLBKASA-N
Reference
<i>N</i>-Methyl-4-hydroxy-2-pyridinone Analogues from <i>Fusarium oxysporum</i>
PubChem CID: 11262300
CAS: 19914-20-6
LOTUS: LTS0129603
SuperNatural Ⅲ: SN0377126-04
NPASS: NPC178919
Source
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 |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 16.0 | ug.mL-1 | 10.1021/np400589h |
| Botrytis cinerea | Botrytis cinerea | Activity | 25.0 | ug ml-1 | 10.1021/np0340448 |
| Botrytis cinerea | Botrytis cinerea | MIC | 75.0 | ug.mL-1 | 10.1021/np0340448 |
| Candida albicans | Candida albicans | IC50 | 2.0 | ug.mL-1 | 10.1021/np050487v |
| Candida albicans | Candida albicans | MIC | 6.25 | ug.mL-1 | 10.1021/np050487v |
| Cryptococcus neoformans | Cryptococcus neoformans | IC50 | 9.0 | ug.mL-1 | 10.1021/np050487v |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 25.0 | ug.mL-1 | 10.1021/np050487v |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 8.0 | ug.mL-1 | 10.1021/np400589h |
| Escherichia coli | Escherichia coli | MIC | 64.0 | ug.mL-1 | 10.1021/np400589h |
| Mycobacterium intracellulare | Mycobacterium intracellulare | IC50 | 15.0 | ug.mL-1 | 10.1021/np050487v |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 64.0 | ug.mL-1 | 10.1021/np400589h |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 8.0 | ug.mL-1 | 10.1021/np400589h |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 4.0 | ug.mL-1 | 10.1021/np400589h |