Agelasidine E; 17-Aldehyde
AlkaPlorer ID: AK283527
Synonym: Agelasidine F
IUPAC Name: 2-[2-[9-(2-formyl-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(C=O)=CCCC1C)S(=O)(=O)CCNC(=N)N
InChI: InChI=1S/C23H39N3O3S/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/h6,9,11,17,19H,1,7-8,10,12-16H2,2-5H3,(H4,24,25,26)
InChIKey: LREQFFZTNFHDAQ-UHFFFAOYSA-N
Reference
Calystegines in Calystegia sepium derive from the tropane alkaloid pathway
PubChem CID: 77907947
COCONUT: CNP0121991.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas citrina | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 437.65000000000015
TPSA？: 113.11
MolLogP？: 3.897170000000002
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|