Molecule

Gliotoxin

AlkaPlorer ID: AK002975

Synonym: None

IUPAC Name: (1R,7S,8R,11R)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione

Structure

SMILES: CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@@H]4N2C(=O)[C@@]1(CO)SS3

InChI: InChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9+,12+,13+/m0/s1

InChIKey: FIVPIPIDMRVLAY-HIAZDOBYSA-N

Reference

THE STRUCTURE OF GLIOTOXIN

PubChem CID: 6713040

LOTUS: LTS0273138

SuperNatural Ⅲ: SN0086947-02

NPASS: NPC43642

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NPAtlas: NPA017485

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cheilanthes chusana	Cheilanthes	Pteridaceae	Polypodiales	Polypodiopsida	Streptophyta	Viridiplantae	Eukaryota
Artemisia gilvescens	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Picris evae	Picris	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Oenanthe fistulosa	Oenanthe	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Datura stramonium	Datura	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ceratocystis fimbriata	Ceratocystis	Ceratocystidaceae	Microascales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 326.399

TPSA？: 81.08000000000001

MolLogP？: -0.3036999999999995

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi