Agelasidine C
AlkaPlorer ID: AK000135
Synonym: ''
IUPAC Name: 2-[2-[(2E,6E)-3,7-dimethyl-9-[(1R,6S)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine
Structure
SMILES: CC1=CCC[C@H](C)[C@@]1(C)CC/C(C)=C/CC/C(C)=C/CS(=O)(=O)CCNC(=N)N
InChI: InChI=1S/C23H41N3O2S/c1-18(12-14-23(5)20(3)10-7-11-21(23)4)8-6-9-19(2)13-16-29(27,28)17-15-26-22(24)25/h8,10,13,21H,6-7,9,11-12,14-17H2,1-5H3,(H4,24,25,26)/b18-8+,19-13+/t21-,23-/m0/s1
InChIKey: ZKAIIIOGWKNEAA-MVIONNKRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas clathrodes | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 423.66700000000014
TPSA？: 96.04
MolLogP？: 4.719770000000002
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 0.5 | ug.mL-1 | 10.1016/j.ejmech.2016.11.022 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Activity | nan | None | 10.1021/np50081a019 |
| Proteus vulgaris | Proteus vulgaris | Activity | nan | None | 10.1021/np50081a019 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np50081a019 |
| None | ADMET | ED50 | 5.7 | ug ml-1 | 10.1021/np50081a019 |