Joro toxin information

Joro toxin
Names
	IUPAC name (2S)-N1-{5-[3-({4-[(3-Aminopropyl)amino]butyl}amino)propanamido]pentyl}-N2-[(2,4-dihydroxyphenyl)acetyl]-L-glutaminamide
	Systematic IUPAC name (2S)-N1-{5-[3-({4-[(3-Aminopropyl)amino]butyl}amino)propanamido]pentyl}-2-[2-(2,4-dihydroxyphenyl)acetamido]butanediamide
	Other names Joro Spider toxin
Identifiers
CAS Number	112163-33-4 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:34802 ;
ChEMBL	ChEMBL119582 ;
ChemSpider	106778 ;
ECHA InfoCard	100.217.900
IUPHAR/BPS	4229;
KEGG	C13931 ;
PubChem CID	119582;
CompTox Dashboard (EPA)	DTXSID50149933 ;
	InChI InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1 Key: SJLRBGDPTALRDM-QFIPXVFZSA-N ;
	SMILES O=C(NCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1O)CC(=O)N)CCNCCCCNCCCN;
Properties
Chemical formula	C27H47N7O6
Molar mass	565.716 g·mol−1
Appearance	White-grey powder
Density	1.196 g/cm3
Boiling point	979.883 °C (1,795.789 °F; 1,253.033 K)
Acidity (pKa)	9.53
Basicity (pKb)	10.573
Hazards
Flash point	546.414 °C (1,015.545 °F; 819.564 K)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Joro spider toxin (joro toxin, JSTX) - a toxin which was originally extracted from the venom of the joro spider (Trichonephila clavata), originally native to Japan.

Joro toxin information

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Joro toxin

Joro

Trichonephila clavata

Sushi

Names

IUPAC name (2S)-N¹-{5-[3-({4-[(3-Aminopropyl)amino]butyl}amino)propanamido]pentyl}-N²-[(2,4-dihydroxyphenyl)acetyl]-L-glutaminamide
Systematic IUPAC name (2S)-N¹-{5-[3-({4-[(3-Aminopropyl)amino]butyl}amino)propanamido]pentyl}-2-[2-(2,4-dihydroxyphenyl)acetamido]butanediamide
Other names Joro Spider toxin
Identifiers
CAS Number	112163-33-4^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:34802^N
ChEMBL	ChEMBL119582^Y
ChemSpider	106778^Y
ECHA InfoCard	100.217.900
IUPHAR/BPS	4229
KEGG	C13931^Y
PubChem CID	119582
CompTox Dashboard (EPA)	DTXSID50149933
InChI InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1^Y Key: SJLRBGDPTALRDM-QFIPXVFZSA-N^Y
SMILES O=C(NCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1O)CC(=O)N)CCNCCCCNCCCN
Properties
Chemical formula	C₂₇H₄₇N₇O₆
Molar mass	565.716 g·mol⁻¹
Appearance	White-grey powder
Density	1.196 g/cm³
Boiling point	979.883 °C (1,795.789 °F; 1,253.033 K)
Acidity (pK_a)	9.53
Basicity (pK_b)	10.573
Hazards
Flash point	546.414 °C (1,015.545 °F; 819.564 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references