Agelasidine E
AlkaPlorer ID: AK283526
Synonym: None
IUPAC Name: 2-[2-[9-[2-(hydroxymethyl)-1,6-dimethylcyclohex-2-en-1-yl]-3,7-dimethylnona-1,6-dien-3-yl]sulfonylethyl]guanidine
Structure
SMILES: C=CC(C)(CCC=C(C)CCC1(C)C(CO)=CCCC1C)S(=O)(=O)CCNC(=N)N
InChI: InChI=1S/C23H41N3O3S/c1-6-22(4,30(28,29)16-15-26-21(24)25)13-8-9-18(2)12-14-23(5)19(3)10-7-11-20(23)17-27/h6,9,11,19,27H,1,7-8,10,12-17H2,2-5H3,(H4,24,25,26)
InChIKey: NUSBPKUAXLMEAN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas citrina | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 439.66600000000017
TPSA？: 116.27
MolLogP？: 3.690570000000001
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|