Agelenopsis aperta Hydroxybenzoylpentamine toxins; Agel 379, 4-Deoxy, 2,5-dihydroxy
AlkaPlorer ID: AK214412
Synonym: Agel 395b, AG 395b, HO 395
IUPAC Name: N-[3-[3-[3-(4-aminobutylamino)propylamino]propylamino]propyl]-2,5-dihydroxybenzamide
Structure
SMILES: NCCCCNCCCNCCCNCCCN=C(O)C1=CC(O)=CC=C1O
InChI: InChI=1S/C20H37N5O3/c21-8-1-2-9-22-10-3-11-23-12-4-13-24-14-5-15-25-20(28)18-16-17(26)6-7-19(18)27/h6-7,16,22-24,26-27H,1-5,8-15,21H2,(H,25,28)
InChIKey: SSCAPCXVHNEDOP-UHFFFAOYSA-N
Reference
The Acylpolyamines from the Venom of the SpiderAgelenopsis aperta
PubChem CID: 102304252
LOTUS: LTS0249856
SuperNatural Ⅲ: SN0353829
COCONUT: CNP0333742
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: 395.54800000000006
TPSA？: 135.16
MolLogP？: 1.0804000000000022
Number of H-Donors: 7
Number of H-Acceptors: 7
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|