Norbatzelladine L
AlkaPlorer ID: AK094119
Synonym: None
IUPAC Name: 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]3[C@@H](C(=O)OC(C)CCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=N4)N65)[C@@H](C)N=C(N1)N23
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-LZBHNGPDSA-N
Reference
Bioactive Guanidine Alkaloids from Two Caribbean Marine Sponges
PubChem CID: 44631992
LOTUS: LTS0074116
NPASS: NPC469388
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monanchora arbuscula | Monanchora | Crambeidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Clathria calla | Clathria | Microcionidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 638.9860000000002
TPSA？: 81.55999999999999
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 |
|---|---|---|---|---|---|
| Homo sapiens | A549 | GI50 | 1100.0 | nM | 10.1021/np900244g |
| Homo sapiens | A549 | LC50 | 4200.0 | nM | 10.1021/np900244g |
| Homo sapiens | A549 | TGI | 2100.0 | nM | 10.1021/np900244g |
| Homo sapiens | HT-29 | GI50 | 1200.0 | nM | 10.1021/np900244g |
| Homo sapiens | HT-29 | LC50 | 4000.0 | nM | 10.1021/np900244g |
| Homo sapiens | HT-29 | TGI | 2200.0 | nM | 10.1021/np900244g |
| Homo sapiens | MDA-MB-231 | GI50 | 700.0 | nM | 10.1021/np900244g |
| Homo sapiens | MDA-MB-231 | LC50 | 4800.0 | nM | 10.1021/np900244g |
| Homo sapiens | MDA-MB-231 | TGI | 1900.0 | nM | 10.1021/np900244g |
| Leishmania infantum | Leishmania infantum | Activity | 30.0 | % | 10.1021/acs.jnatprod.5b00070 |
| Leishmania infantum | Leishmania infantum | Activity | 65.0 | % | 10.1021/acs.jnatprod.5b00070 |
| Leishmania infantum | Leishmania infantum | Activity | 82.0 | % | 10.1021/acs.jnatprod.5b00070 |
| Leishmania infantum | Leishmania infantum | Activity | nan | None | 10.1021/acs.jnatprod.5b00070 |
| Leishmania infantum | Leishmania infantum | IC50 | 2000.0 | nM | 10.1021/acs.jnatprod.5b00070 |
| Macaca mulatta | LLC-MK2 | IC50 | 85000.0 | nM | 10.1021/acs.jnatprod.5b00070 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 400.0 | nM | 10.1021/np900244g |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 7000.0 | nM | 10.1021/acs.jnatprod.5b00070 |
| Trypanosoma cruzi | Trypanosoma cruzi | Ratio IC50 | 54.0 | None | 10.1021/acs.jnatprod.5b00070 |
| None | Unchecked | Ratio IC50 | 12.0 | None | 10.1021/acs.jnatprod.5b00070 |