norbatzelladine L
AlkaPlorer ID: AK002345
Synonym: None
IUPAC Name: [(2R)-9-[(1R,4S,6R,10S)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]nonan-2-yl] (1S,4S,5S,6R,10R)-6-methyl-10-octyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
Structure
SMILES: CCCCCCCC[C@@H]1C[C@@H]2CC[C@@H]3N2C(=N[C@@H]([C@@H]3C(=O)O[C@H](C)CCCCCCC[C@@H]4C[C@@H]5CC[C@H]6N5C(=N4)N[C@H](C6)C)C)N1
InChI: InChI=1S/C38H66N6O2/c1-5-6-7-8-11-14-18-30-25-33-21-22-34-35(28(4)40-38(42-30)44(33)34)36(45)46-27(3)16-13-10-9-12-15-17-29-24-32-20-19-31-23-26(2)39-37(41-29)43(31)32/h26-35H,5-25H2,1-4H3,(H,39,41)(H,40,42)/t26-,27+,28+,29+,30+,31+,32-,33-,34-,35-/m0/s1
InChIKey: HGZBYTYKEVODQE-CUTDAANYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clathria calla | Clathria | Microcionidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 638.9860000000002
TPSA？: 81.56
MolLogP？: 7.311700000000008
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus flavus | Aspergillus flavus | MFC | 3.9 | ug ml-1 | 10.1016/j.ejmech.2016.11.022 |
| Aspergillus flavus | Aspergillus flavus | MIC | 1.9 | ug.mL-1 | 10.1016/j.ejmech.2016.11.022 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 1.68 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |