Not named
AlkaPlorer ID: AK018761
Synonym: None
IUPAC Name: (16R,17S,18S,21S)-6-[(16R,17S,18S,21S)-17-carboxy-18-hydroxy-17,21-dimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12-hexaen-10-yl]-18-hydroxy-17,21-dimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12-hexaene-17-carboxylic acid
Structure
SMILES: C[C@@]1(C(=O)O)[C@@H](O)CC[C@]2(C)C3=CC4=C(C=C3CC[C@@H]12)NC1=CC=C(N2C3=CC=CC=C3C3=CC5=C(C=C32)CC[C@H]2[C@](C)(C(=O)O)[C@@H](O)CC[C@]52C)C=C14
InChI: InChI=1S/C46H48N2O6/c1-43-17-15-39(49)45(3,41(51)52)37(43)13-9-24-19-34-29(22-31(24)43)28-21-26(11-12-33(28)47-34)48-35-8-6-5-7-27(35)30-23-32-25(20-36(30)48)10-14-38-44(32,2)18-16-40(50)46(38,4)42(53)54/h5-8,11-12,19-23,37-40,47,49-50H,9-10,13-18H2,1-4H3,(H,51,52)(H,53,54)/t37-,38-,39+,40+,43-,44-,45+,46+/m1/s1
InChIKey: NVGWZAXRZYXZCT-IPPPMHIGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces albus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 724.8979999999999
TPSA？: 135.78
MolLogP？: 8.549600000000005
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Enterococcus faecalis | Enterococcus faecalis | MIC | 3.12 | ug.mL-1 | 10.1021/acs.jnatprod.1c00411 |
| Enterococcus faecium | Enterococcus faecium | MIC | 1.56 | ug.mL-1 | 10.1021/acs.jnatprod.1c00411 |
| Escherichia coli | Escherichia coli | MIC | 12.5 | ug.mL-1 | 10.1021/acs.jnatprod.1c00411 |
| Micrococcus luteus | Micrococcus luteus | MIC | 3.12 | ug.mL-1 | 10.1021/acs.jnatprod.1c00411 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 0.78 | ug.mL-1 | 10.1021/acs.jnatprod.1c00411 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 12.5 | ug.mL-1 | 10.1021/acs.jnatprod.1c00411 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.78 | ug.mL-1 | 10.1021/acs.jnatprod.1c00411 |