Agel 452; N,4-Dideoxy, 2,5-dihydroxy
AlkaPlorer ID: AK226776
Synonym: Agel 452a, AG 452a, HO 452
IUPAC Name: N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2,5-dihydroxybenzamide
Structure
SMILES: NCCCNCCCCNCCCNCCCNCCCN=C(O)C1=CC(O)=CC=C1O
InChI: InChI=1S/C23H44N6O3/c24-9-3-12-25-10-1-2-11-26-13-4-14-27-15-5-16-28-17-6-18-29-23(32)21-19-20(30)7-8-22(21)31/h7-8,19,25-28,30-31H,1-6,9-18,24H2,(H,29,32)
InChIKey: JLMPLFOTMMZOJF-UHFFFAOYSA-N
Reference
The Acylpolyamines from the Venom of the SpiderAgelenopsis aperta
PubChem CID: 179257
CAS: 133805-35-3
LOTUS: LTS0241630
SuperNatural Ⅲ: SN0168654
COCONUT: CNP0323464
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hololena curta | Hololena | Agelenidae | Araneae | Arachnida | Arthropoda | Metazoa | Eukaryota |
| Agelenopsis aperta | Agelenopsis | Agelenidae | Araneae | Arachnida | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 452.6440000000002
TPSA？: 147.19
MolLogP？: 1.0601000000000045
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|