None
AlkaPlorer ID: AK323974
Synonym: None
IUPAC Name: methyl (1S,15S,17S,18S)-5-[(1S,12S,14R)-15-ethenyl-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-17-ethyl-14-hydroxy-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Structure
SMILES: C=CC1CN(C)[C@H]2CC3=C(NC4=CC=CC=C34)[C@H](C3=C4NC5=C(CCN6C(O)[C@H]7C[C@H](CC)[C@H]6[C@@]5(C(=O)OC)C7)C4=CC=C3OC)C[C@H]1C2C(=O)OC
InChI: InChI=1S/C43H52N4O6/c1-7-22-17-24-20-43(42(50)53-6)38-27(15-16-47(39(22)43)40(24)48)26-13-14-33(51-4)35(37(26)45-38)30-18-28-23(8-2)21-46(3)32(34(28)41(49)52-5)19-29-25-11-9-10-12-31(25)44-36(29)30/h8-14,22-24,28,30,32,34,39-40,44-45,48H,2,7,15-21H2,1,3-6H3/t22-,23?,24-,28+,30-,32-,34?,39-,40?,43+/m0/s1
InChIKey: CKIBPMQWYILJLC-QKAWTYPISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 720.9110000000002
TPSA？: 120.12000000000002
MolLogP？: 5.663200000000006
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 14.0 | ug.mL-1 | 10.1021/np50039a008 |
| Escherichia coli | Escherichia coli | MIC | 750.0 | ug.mL-1 | 10.1021/np50039a008 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 150.0 | ug.mL-1 | 10.1021/np50039a008 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 45.0 | ug.mL-1 | 10.1021/np50039a008 |