Mollicellin f
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Formula: C21H17ClO8
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Molecular weight: 432.80
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Smiles: CC1=C2C(=O)CC(OC2=C(C3=C1OC4=C(C(=C(C(=C4C(=O)O3)C)Cl)O)C=O)O)(C)C
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Type: Depsidone
Mollicellin f
Names
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Mycotoxin name: Mollicellin f
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First synonym: Mollicellin f
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Synonyms: mollicellin F,68455-12-9,UNII-12JN3G4938,CHEBI:68721,12JN3G4938,2H,11H-1-Benzopyrano(6,7-b)(1,4)benzodioxepin-7-carboxaldehyde, 9-chloro-3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-,Mollicelline F,CHEMBL1080083,DTXSID70218574,9-Chloro-3,4-dihydro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-2H,11H-1-benzopyrano(6,7-b)(1,4)benzodioxepin-7-carboxaldehyde,9-chloro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde,Q27137141,UNII-B811E427JV component BUWVABSQGVRXOI-UHFFFAOYSA-N,6-chloro-5,12-dihydroxy-7,15,15,19-tetramethyl-9,17-dioxo-2,10,14-trioxatetracyclo[9.8.0.0^{3,8}.0^{13,18}]nonadeca-1(19),3(8),4,6,11,13(18)-hexaene-4-carbaldehyde,9-chloro-8,13-dihydroxy-2,2,5,10-tetramethyl-4,11-dioxo-3,4-dihydro-2H,11H-chromeno[6,7-b][1,4]benzodioxepine-7-carbaldehyde
Identifiers / External links
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CAS: 68455-12-9
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PubChem CID: 152841
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ChemSpiderID: 134713
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ChEMBL: CHEMBL1080083
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US FDA (UNII): UNII-B811E427JV,UNII-12JN3G4938
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Wikidata (wiki): Q27137141
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Chemical Entities of Biological Interest (CHEBI): CHEBI:68721
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CompTox Chemicals Dashboard (DTXSID): DTXSID70218574
Structure
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Smiles: CC1=C2C(=O)CC(OC2=C(C3=C1OC4=C(C(=C(C(=C4C(=O)O3)C)Cl)O)C=O)O)(C)C
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Isomeric smiles: CC1=C2C(=O)CC(OC2=C(C3=C1OC4=C(C(=C(C(=C4C(=O)O3)C)Cl)O)C=O)O)(C)C
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Inchi: InChI=1S/C21H17ClO8/c1-7-12-17(9(6-23)14(25)13(7)22)28-16-8(2)11-10(24)5-21(3,4)30-18(11)15(26)19(16)29-20(12)27/h6,25-26H,5H2,1-4H3
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Inchikey: BUWVABSQGVRXOI-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H17ClO8
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Molecular weight: 432.80
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Monoisotopic mass: 432.0611952
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Fungi
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Fungi id Species