nakadomarin A
AlkaPlorer ID: AK003895
Synonym: None
IUPAC Name: (1R,3R,4Z,11R,18Z,27R)-29-oxa-10,24-diazahexacyclo[22.3.1.112,15.01,11.03,10.013,27]nonacosa-4,12,14,18-tetraene
Structure
SMILES: C1CCN2CC[C@H]3C4=C([C@H]5[C@]3(C2)C[C@H]/6N5CCCC/C=C6)OC(=C4)CC/C=C\C1
InChI: InChI=1S/C26H36N2O/c1-2-5-9-14-27-16-13-23-22-17-21(12-8-3-1)29-24(22)25-26(23,19-27)18-20-11-7-4-6-10-15-28(20)25/h1,3,7,11,17,20,23,25H,2,4-6,8-10,12-16,18-19H2/b3-1-,11-7-/t20-,23-,25-,26-/m0/s1
InChIKey: VPRVZLLGJDUVDH-FKLLLFIRSA-N
Reference
Nakadomarin A, a Novel Hexacyclic Manzamine-Related Alkaloid from Amphimedon Sponge
PubChem CID: 11395242
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 392.58700000000016
TPSA？: 19.62
MolLogP？: 5.597100000000006
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Corynebacterium xerosis | Corynebacterium xerosis | MIC | 11.0 | ug.mL-1 | 10.1016/j.bmc.2021.116560 |
| Homo sapiens | Cyclin-dependent kinase 4 | IC50 | 9.9 | ug.mL-1 | 10.1016/j.bmc.2021.116560 |
| Mus musculus | L1210 | IC50 | 1.3 | ug.mL-1 | 10.1016/j.bmc.2021.116560 |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | MIC | 23.0 | ug.mL-1 | 10.1016/j.bmc.2021.116560 |