CHEBI:66013 - hesseltin A

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ChEBI Name hesseltin A ChEBI ID CHEBI:66013 Definition An organic heteropentacyclic compound with a mixed polyketide-terpenoid origin isolated from Penicillium hesseltinei. It has been shown to exhibit antiviral activity. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H32O7 Net Charge 0 Average Mass 444.51740 Monoisotopic Mass 444.21480 InChI InChI=1S/C25H32O7/c1-5-6-7-8-15-13-16(26)17-18(27)19-22(4,32-20(17)31-15)9-11-24(28)21(2,3)25(29)12-10-23(19,24)14-30-25/h5-8,13,18-19,27-29H,9-12,14H2,1-4H3/b6-5+,8-7+/t18-,19-,22+,23-,24+,25-/m0/s1 InChIKey LFPBILWIIIPSMS-IEBSNVMFSA-N SMILES [H][C@]12[C@@H](O)c3c(O[C@]1(C)CC[C@@]1(O)C(C)(C)[C@]4(O)CC[C@]21CO4)oc(cc3=O)\C=C\C=C\C Metabolite of Species Details Penicillium (NCBI:txid5073) See: PubMed Roles Classification Biological Role(s): Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium. antiviral agent A substance that destroys or inhibits replication of viruses. View more via ChEBI Ontology ChEBI Ontology Outgoing hesseltin A (CHEBI:66013) has role Penicillium metabolite (CHEBI:76964) hesseltin A (CHEBI:66013) has role antiviral agent (CHEBI:22587) hesseltin A (CHEBI:66013) is a bridged compound (CHEBI:35990) hesseltin A (CHEBI:66013) is a cyclic ether (CHEBI:37407) hesseltin A (CHEBI:66013) is a cyclic ketone (CHEBI:3992) hesseltin A (CHEBI:66013) is a ketene acetal (CHEBI:145408) hesseltin A (CHEBI:66013) is a organic heteropentacyclic compound (CHEBI:38164) hesseltin A (CHEBI:66013) is a secondary alcohol (CHEBI:35681) hesseltin A (CHEBI:66013) is a tertiary alcohol (CHEBI:26878) IUPAC Name (3S,4aS,6aR,12R,12aS,12bR)-3,4a,12-trihydroxy-4,4,6a-trimethyl-9-[(1E,3E)-penta-1,3-dien-1-yl]-1,2,3,4,4a,5,6,6a,12,12a-decahydro-11H-3,12b-(epoxymethano)benzo[f]pyrano[2,3-b]chromen-11-one Registry Number Type Source 9883602 Reaxys Registry Number Reaxys Citation Type Source 15387518 PubMed citation Europe PMC Last Modified 18 November 2019