Logo Anses
Logo Interreg

arisugacin

  • Formula: C28H32O8

  • Molecular weight: 496.50

  • Smiles: CC1(C=CC(=O)C2(C1(CCC3(C2(CC4=C(O3)C=C(OC4=O)C5=CC(=C(C=C5)OC)OC)O)C)O)C)C

Download

arisugacin

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

Names

  • Mycotoxin name: arisugacin

  • First synonym: None

  • Synonyms: Arisugacin A,CHEBI:65435,CHEMBL283509,(4aR,6aR,12aS,12bS)-9-(3,4-dimethoxyphenyl)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione,167114-89-8,arisugacin,(1S,2S,7R,10R)-14-(3,4-dimethoxyphenyl)-1,7-dihydroxy-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-4,12(17),13-triene-3,16-dione,9-(3,4-Dimethoxy-phenyl)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,5H-7,10-dioxa-benzo[a]anthracene-1,11-dione,(1S,2S,7R,10R)-14-(3,4-dimethoxyphenyl)-1,7-dihydroxy-2,6,6,10-tetramethyl-11,15-dioxatetracyclo(8.8.0.02,7.012,17)octadeca-4,12(17),13-triene-3,16-dione,(4aR,6aR,12aS,12bS)-9-(3,4-Dimethoxyphenyl)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo(f)pyrano(4,3-b)chromene-1,11(5H)-dione,9-(3,4-Dimethoxy-phenyl)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,5H-7,10-dioxa-benzo(a)anthracene-1,11-dione,(+)-Arisugacin A,DTXSID401045615,BDBM50089619,PD139832,(3,4-dimethoxyphenyl)-dihydroxy-tetramethyl-[?]dione,Q15410265,3-(3,4-dimethoxyphenyl)-7a,11b-dihydroxy-1,5a,6,7,7a,8,11,11a,11b,12-decahydro-2,5-dioxatetraphene-1,11-dione

Identifiers / External links

Structure

  • Smiles: CC1(C=CC(=O)C2(C1(CCC3(C2(CC4=C(O3)C=C(OC4=O)C5=CC(=C(C=C5)OC)OC)O)C)O)C)C

  • Isomeric smiles: C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)C5=CC(=C(C=C5)OC)OC)O)(C(=O)C=CC3(C)C)C)O

  • Inchi: InChI=1S/C28H32O8/c1-24(2)10-9-22(29)26(4)27(24,31)12-11-25(3)28(26,32)15-17-20(36-25)14-19(35-23(17)30)16-7-8-18(33-5)21(13-16)34-6/h7-10,13-14,31-32H,11-12,15H2,1-6H3/t25-,26+,27-,28-/m1/s1

  • Inchikey: MIHBCQWIBJDVPX-JUDWXZBOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H32O8

  • Molecular weight: 496.50

  • Monoisotopic mass: 496.20971797

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi