(-)-Ageloxime D
AlkaPlorer ID: AK004962
Synonym: None
IUPAC Name: N-[7-[(E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-yl]hydroxylamine
Structure
SMILES: C/C(=C\CN1C=[N+](C2=NC=NC(=C21)NO)C)/CC[C@@H]3C(=C)CC[C@H]4[C@]3(CCCC4(C)C)C
InChI: InChI=1S/C26H40N5O/c1-18(12-15-31-17-30(6)24-22(31)23(29-32)27-16-28-24)8-10-20-19(2)9-11-21-25(3,4)13-7-14-26(20,21)5/h12,16-17,20-21,32H,2,7-11,13-15H2,1,3-6H3,(H,27,28,29)/q+1/b18-12+/t20-,21-,26+/m1/s1
InChIKey: DPKZZZXQPZKTGJ-SYKKHXDTSA-N
Reference
PubChem CID: 46232131
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas nakamurai | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 438.6400000000004
TPSA？: 66.85000000000001
MolLogP？: 5.582200000000006
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | SU.86.86 | Activity | 20.0 | % | 10.1016/j.bmc.2019.115279 |