Agelasidine C
AlkaPlorer ID: AK000137
Synonym: None
IUPAC Name: 2-[2-[(2E,6E)-3,7-dimethyl-9-[(1S,6R)-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-/m1/s1
InChIKey: ZKAIIIOGWKNEAA-DEWOAGJPSA-N
Reference
PubChem CID: 6438666
CAS: 96617-52-6
LOTUS: LTS0093427
SuperNatural Ⅲ: SN0472478-04
NPASS: NPC161344
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | 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 |
|---|---|---|---|---|---|
| Mus musculus | L5178Y | GI | 37.4 | % | 10.1016/j.bmc.2009.12.028 |
| Mus musculus | L5178Y | IC50 | nan | None | 10.1016/j.bmc.2009.12.028 |
| Staphylococcus epidermidis | Staphylococcus epidermidis | GI | nan | None | 10.1016/j.bmc.2009.12.028 |
| Staphylococcus epidermidis | Staphylococcus epidermidis | Inhibition | nan | % | 10.1016/j.bmc.2009.12.028 |
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 5900.0 | nM | 10.1016/j.bmc.2009.12.028 |