Mycocyclosin
AlkaPlorer ID: AK307154
Synonym: None
IUPAC Name: 6,9-dihydroxy-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),4,6,8,10,12(19)-hexaene-16,18-dione
Structure
SMILES: O=C1NC2CC3=CC=C(O)C(=C3)C3=CC(=CC=C3O)CC1NC2=O
InChI: InChI=1S/C18H16N2O4/c21-15-3-1-9-5-11(15)12-6-10(2-4-16(12)22)8-14-18(24)19-13(7-9)17(23)20-14/h1-6,13-14,21-22H,7-8H2,(H,19,24)(H,20,23)
InChIKey: PYDUENRHWXNYLP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Mycobacterium | Mycobacteriaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 324.33600000000007
TPSA？: 98.66
MolLogP？: 0.8465999999999998
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | 2.9 | % | 10.1016/j.bmc.2017.11.030 |
| None | Unchecked | Kd | 5820.0 | nM | 10.1016/j.bmc.2017.11.030 |