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Aranotin

  • Formula: C20H18N2O7S2

  • Molecular weight: 462.50

  • Smiles: CC(=O)OC1C=COC=C2C1N3C(=O)C45CC6=COC=CC(C6N4C(=O)C3(C2)SS5)O

  • Type: Epipolythiopiperazine-3,6-dione

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Aranotin

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Aranotin

  • First synonym: None

  • Synonyms: ARANOTIN,Aranotina,19885-51-9,Aranotinum,Ariotin,Aranotine,Aranotin [USAN:INN],Aranotine [INN-French],Aranotinum [INN-Latin],UNII-H56CKB2FFV,Aranotina [INN-Spanish],H56CKB2FFV,Lilly 53185,Antibiotic A 21101-IL,ARANOTIN [USAN],ARANOTIN [INN],A-21101-IL,BRN 3042102,Antibiotic A 21101-III,CHEBI:88274,L 53185,Aranotine (INN-French),Aranotinum (INN-Latin),Aranotina (INN-Spanish),[(1R,4S,5S,12R,15S,16S)-16-hydroxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.01,14.03,12.04,10.015,21]tetracosa-6,9,17,20-tetraen-5-yl] acetate,5-Acetoxy-5,5a,7,7a,8,13,13a,15,15a,16-decahydro-7a,15a-epidithio-13-hydroxybisoxepino(3',4':4,5)pyrrolo(1,2-a:1',2'-d)pyrazin-7,15-dion,8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino(3',4':4,5)pyrrolo(1,2-a:1',2'-d)pyrazine-7,15-dione, 5-(acetyloxy)-5,5a,13,13a-tetrahydro-13-hydroxy-,(5S,5aS,7aR,13S,13aS,15aR)-13-hydroxy-7,15-dioxo-5,5a,13,13a-tetrahydro-7H,8H,15H,16H-7a,15a-epidithiobisoxepino[3',4':4,5]pyrrolo[1,2-a:1',2'-d]pyrazin-5-yl acetate,5A,13,13A-TETRAHYDRO-5,13-DIHYDROXY-8H,16H-7A,15A-EPIDITHIO-7H,15H-BISOXEPINO(3',4':4,5)PYRROLO(1,2-A:1',2'-D)PYRAZINE-7,15-DIONE 5-ACETATE,8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino(3',4':4,5)pyrrolo(1,2-a:1',2'-d)pyrazine-7,15-dione, 5,5a,13,13a-tetrahydro-5,13-dihydroxy-, 5-acetate,(5S,5aS,7aR,13S,13aS,15aR)-13-hydroxy-7,15-dioxo-5,5a,13,13a-tetrahydro-7H,8H,15H,16H-7a,15a-epidithiobisoxepino(3',4':4,5)pyrrolo(1,2-a:1',2'-d)pyrazin-5-yl acetate,16-Hydroxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo(10.10.2.0,.0,.0,.0,)tetracosa-6,9,17,20-tetraen-5-yl acetic acid,16-Hydroxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.0,.0,.0,.0,]tetracosa-6,9,17,20-tetraen-5-yl acetic acid,CHEMBL2104550,DTXSID301043204,(16-hydroxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo(10.10.2.01,14.03,12.04,10.015,21)tetracosa-6,9,17,20-tetraen-5-yl) acetate,(16-hydroxy-2,13-dioxo-8,19-dioxa-23,24-dithia-3,14-diazahexacyclo[10.10.2.01,14.03,12.04,10.015,21]tetracosa-6,9,17,20-tetraen-5-yl) acetate,AKOS040746586,5,5a,13,13a-Tetrahydro-5,13-dihydroxy-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino(3',4':4,5)pyrrolo(1,2-a:1',2'-d)pyrazine-7,15-dione 5-acetate,HY-105721,CS-0026523,Q27160157,(5S,5aS,7aR,13S,13aS,15aR)-13-hydroxy-7,15-dioxo-5,5a,13,13a-tetrahydro-7H,8H,15H,16H-7a,15a-epidithiooxepino[3',4':4,5]pyrrolo[1,2-a]oxepino[3',4':4,5]pyrrolo[1,2-d]pyrazin-5-yl acetate

Identifiers / External links

Structure

  • Smiles: CC(=O)OC1C=COC=C2C1N3C(=O)C45CC6=COC=CC(C6N4C(=O)C3(C2)SS5)O

  • Isomeric smiles: CC(=O)O[C@H]1C=COC=C2[C@@H]1N3C(=O)[C@]45CC6=COC=C[C@@H]([C@H]6N4C(=O)[C@@]3(C2)SS5)O

  • Inchi: InChI=1S/C20H18N2O7S2/c1-10(23)29-14-3-5-28-9-12-7-20-17(25)21-15-11(8-27-4-2-13(15)24)6-19(21,30-31-20)18(26)22(20)16(12)14/h2-5,8-9,13-16,24H,6-7H2,1H3/t13-,14-,15-,16-,19+,20+/m0/s1

  • Inchikey: HXWOWBFXYUFFKS-PSJNWGMYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H18N2O7S2

  • Molecular weight: 462.50

  • Monoisotopic mass: 462.05554326

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Fungi

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