Agelenopsis aperta Hydroxybenzoylpentamine toxins; Agel 379, N2'-Hydroxy
AlkaPlorer ID: AK179166
Synonym: Agel 395a, AG 395a
IUPAC Name: N-[3-[3-[3-(4-aminobutylamino)propylamino]propyl-hydroxyamino]propyl]-4-hydroxybenzamide
Structure
SMILES: NCCCCNCCCNCCCN(O)CCCNC(=O)C1=CC=C(O)C=C1
InChI: InChI=1S/C20H37N5O3/c21-10-1-2-11-22-12-3-13-23-14-4-16-25(28)17-5-15-24-20(27)18-6-8-19(26)9-7-18/h6-9,22-23,26,28H,1-5,10-17,21H2,(H,24,27)
InChIKey: DRGTWDCOBHOVSL-UHFFFAOYSA-N
Reference
The Acylpolyamines from the Venom of the SpiderAgelenopsis aperta
PubChem CID: 102304251
LOTUS: LTS0094304
SuperNatural Ⅲ: SN0073325
COCONUT: CNP0249903
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelenopsis aperta | Agelenopsis | Agelenidae | Araneae | Arachnida | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 395.5480000000001
TPSA？: 122.88
MolLogP？: 0.9016000000000024
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|