Enopeptin A; 4-Demethyl
AlkaPlorer ID: AK297481
Synonym: Enopeptin B
IUPAC Name: N-(2-hydroxy-5-oxocyclopenten-1-yl)-N'-[1-oxo-3-phenyl-1-[(13,16,17-trimethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl)amino]propan-2-yl]dodeca-2,4,6,8,10-pentaenediamide
Structure
SMILES: CC1N=C(O)C(C)N(C)C(=O)C2CCCN2C(=O)C(N=C(O)C(CC2=CC=CC=C2)N=C(O)C=CC=CC=CC=CC=CC(O)=NC2=C(O)CCC2=O)COC(=O)C2CCCN2C1=O
InChI: InChI=1S/C46H55N7O11/c1-29-43(60)53-26-16-20-35(53)46(63)64-28-33(44(61)52-25-15-19-34(52)45(62)51(3)30(2)41(58)47-29)49-42(59)32(27-31-17-11-10-12-18-31)48-38(56)21-13-8-6-4-5-7-9-14-22-39(57)50-40-36(54)23-24-37(40)55/h4-14,17-18,21-22,29-30,32-35,54H,15-16,19-20,23-28H2,1-3H3,(H,47,58)(H,48,56)(H,49,59)(H,50,57)
InChIKey: UAWJLNYXJARQTG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 881.9839999999997
TPSA？: 254.89
MolLogP？: 4.480000000000006
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|