Joro Spider Toxin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H47N7O6
Molecular Weight	565.7054
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)CC1=CC=C(O)C=C1O

InChI

InChIKey=SJLRBGDPTALRDM-QFIPXVFZSA-N

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

HIDE SMILES / InChI

Molecular Formula	C27H47N7O6
Molecular Weight	565.7054
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:21:51 GMT 2025` Edited by `admin` on `Mon Mar 31 18:21:51 GMT 2025`
Record UNII	MPT5X293RB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Joro Spider Toxin

Common Name

English

JORO TOXIN

Preferred Name

English

Joro spider toxin 3

Common Name

English

BUTANEDIAMIDE, N1-(5-((3-((4-((3-AMINOPROPYL)AMINO)BUTYL)AMINO)-1-OXOPROPYL)AMINO)PENTYL)-2-(((2,4-DIHYDROXYPHENYL)ACETYL)AMINO)-, (2S)-

Systematic Name

English

Jorotoxin 3

Common Name

English

Neurotoxin 3 (Nephila clavata)

Common Name

English

JSTX 3

Common Name

English

(2S)-N1-(5-((3-((4-((3-AMINOPROPYL)AMINO)BUTYL)AMINO)-1-OXOPROPYL)AMINO)PENTYL)-2-(2-((2,4-DIHYDROXYPHENYL)ACETYL)AMINO)BUTANEDIAMIDE

Systematic Name

English

BUTANEDIAMIDE, N1-(5-((3-((4-((3-AMINOPROPYL)AMINO)BUTYL)AMINO)-1-OXOPROPYL)AMINO)PENTYL)-2-(((2,4-DIHYDROXYPHENYL)ACETYL)AMINO)-, (S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

119582