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Sporidesmin A

  • Formula: C18H20ClN3O6S2

  • Molecular weight: 474.00

  • Smiles: CC12C(=O)N3C4C(C(C3(C(=O)N1C)SS2)O)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O

  • Type: Epipolythiopiperazine-3,6-dione

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Sporidesmin A

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

Names

  • Mycotoxin name: Sporidesmin A

  • First synonym: None

  • Synonyms: Sporidesmin,Sporidesmin A,1456-55-9,CCRIS 5323,UNII-H70LC3H0RW,Hydroxysporidesmin B,NSC 246152,SPORIDESMIN A [MI],H70LC3H0RW,CHEBI:9243,SPORIDESMIN BENZENE SOLVATE,NSC-246152,(3r,5ar,10bs,11r,11ar)-9-chloro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione,3,11a-Epidithio-11aH-pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-, (3-alpha,5a-alpha,10b-alpha,11-beta,11a-alpha)-,(1R,2R,3S,11R,14R)-6-chloro-2,3-dihydroxy-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione,3,11A-EPIDITHIO-11AH-PYRAZINO(1',2':1,5)PYRROLO(2,3-B)INDOLE-1,4-DIONE, 9-CHLORO-2,3,5A,6,10B,11-HEXAHYDRO-10B,11-DIHYDROXY-7,8-DIMETHOXY-2,3,6-TRIMETHYL-, (3.ALPHA.,5A.ALPHA.,10B.ALPHA.,11.BETA.,11A.ALPHA.)-,3,11a-Epidithio-11aH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-, (3R,5aR,10bS,11R,11aR)-,(3R,5aR,10bS,11R,11aR)-9-chloro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-dione,3,11a-Epidithio-11aH-pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-, (3R,5aR,10bS,11R,11aR)-,SCHEMBL1096362,DTXSID60929900,QTONANGUNATZOU-ICTVWZTPSA-N,DTXSID001030686,6-chloro-2,3-dihydroxy-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo(12.2.2.01,12.03,11.04,9)octadeca-4,6,8-triene-13,17-dione,6-chloro-2,3-dihydroxy-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione,Q27108332,1378-20-7,3,11A-EPIDITHIO-11AH-PYRAZINO(1',2':1,5)PYRROLO(2,3-B)INDOLE-1,4-DIONE, 9-CHLORO-2,3,5A,6,10B,11-HEXAHYDRO-10B,11-DIHYDROXY-7,8-DIMETHOXY-2,3,6-TRIMETHYL-, (3ALPHA,5AALPHA,10BALPHA,11BETA,11AALPHA)-,3,11a-Epidithio-11aH-pyrazino1,2:1,5pyrrolo2,3-bindole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-, (3R,5aR,10bS,11R,11aR)-,9-Chloro-10b,11-dihydroxy-7,8-dimethoxy-2,3,6-trimethyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione

Identifiers / External links

Structure

  • Smiles: CC12C(=O)N3C4C(C(C3(C(=O)N1C)SS2)O)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O

  • Isomeric smiles: C[C@@]12C(=O)N3[C@@H]4[C@]([C@H]([C@]3(C(=O)N1C)SS2)O)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O

  • Inchi: InChI=1S/C18H20ClN3O6S2/c1-16-14(24)22-13-17(26,12(23)18(22,30-29-16)15(25)21(16)3)7-6-8(19)10(27-4)11(28-5)9(7)20(13)2/h6,12-13,23,26H,1-5H3/t12-,13-,16-,17-,18-/m1/s1

  • Inchikey: QTONANGUNATZOU-ICTVWZTPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H20ClN3O6S2

  • Molecular weight: 474.00

  • Monoisotopic mass: 473.0482054

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