Tyrokeradine B; N2-Tri-Me
AlkaPlorer ID: AK317027
Synonym: Tyrokeradine A
IUPAC Name: 3-[4-[(2Z)-3-[2-[2-amino-4-(3,5,8-trihydroxy-4-oxo-1H-quinolin-6-yl)-1H-imidazol-3-ium-5-yl]ethylamino]-2-hydroxyimino-3-oxopropyl]-2,6-dibromophenoxy]propyl-trimethylazanium
Structure
SMILES: C[N+](C)(C)CCCOC1=C(Br)C=C(C/C(=N\O)C(=O)NCCC2=C(C3=CC(O)=C4NC=C(O)C(=O)C4=C3O)[NH+]=C(N)N2)C=C1Br
InChI: InChI=1S/C29H33Br2N7O7/c1-38(2,3)7-4-8-45-27-16(30)9-14(10-17(27)31)11-19(37-44)28(43)33-6-5-18-23(36-29(32)35-18)15-12-20(39)24-22(25(15)41)26(42)21(40)13-34-24/h9-10,12-13H,4-8,11H2,1-3H3,(H8-,32,33,34,35,36,37,39,40,41,42,43,44)/p+2
InChIKey: VRQBECPDCZNQAN-UHFFFAOYSA-P
Reference
The flavonoid chemosystematics of Egyptian Verbena species
PubChem CID: 172928354
CAS: 1139903-30-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 753.4490000000002
TPSA？: 220.42
MolLogP？: 2.7680000000000007
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus niger | Aspergillus niger | MIC | 25.0 | ug.mL-1 | 10.1016/j.bmcl.2009.01.056 |
| Candida albicans | Candida albicans | MIC | 25.0 | ug.mL-1 | 10.1016/j.bmcl.2009.01.056 |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 25.0 | ug.mL-1 | 10.1016/j.bmcl.2009.01.056 |
| Micrococcus luteus | Micrococcus luteus | MIC | 25.0 | ug.mL-1 | 10.1016/j.bmcl.2009.01.056 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 25.0 | ug.mL-1 | 10.1016/j.bmcl.2009.01.056 |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | MIC | 25.0 | ug.mL-1 | 10.1016/j.bmcl.2009.01.056 |