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 ChemicalBook:CB5855401, ZINC000005854633 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