CHEBI:149710 - deacetylpyripyropene E

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ChEBI Name deacetylpyripyropene E
ChEBI ID CHEBI:149710
Definition An organic heterotetracyclic compound that is (3S,4aR,6aR,12aR,12bS)-3-hydroxy-4,4,6a,12b-tetramethyl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-11-one substituted by a pyridin-3-yl group at position 9 (the 3S,4aR,6aR,12aR,12bS stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C25H31NO4
Net Charge 0
Average Mass 409.526
Monoisotopic Mass 409.22531
InChI InChI=1S/C25H31NO4/c1-23(2)19-7-10-25(4)20(24(19,3)9-8-21(23)27)12-16-18(30-25)13-17(29-22(16)28)15-6-5-11-26-14-15/h5-6,11,13-14,19-21,27H,7-10,12H2,1-4H3/t19-,20+,21-,24-,25+/m0/s1
InChIKey HOWVEDNNRUDLMG-XVFVLVJGSA-N
SMILES [H][C@@]12CC[C@@]3(C)OC4=C(C[C@]3([H])[C@@]1(C)CC[C@H](O)C2(C)C)C(=O)OC(=C4)C1=CC=CN=C1
Metabolite of Species Details
Aspergillus oryzae (NCBI:txid5062) See: PubMed
Aspergillus fumigatus (NCBI:txid746128) See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via meroterpenoid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing deacetylpyripyropene E (CHEBI:149710) has role Aspergillus metabolite (CHEBI:76956)
deacetylpyripyropene E (CHEBI:149710) is a δ-lactone (CHEBI:18946)
deacetylpyripyropene E (CHEBI:149710) is a meroterpenoid (CHEBI:64419)
deacetylpyripyropene E (CHEBI:149710) is a organic heterotetracyclic compound (CHEBI:38163)
deacetylpyripyropene E (CHEBI:149710) is a pyridines (CHEBI:26421)
deacetylpyripyropene E (CHEBI:149710) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(3S,4aR,6aR,12aR,12bS)-3-hydroxy-4,4,6a,12b-tetramethyl-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-11-one
Synonyms Sources
(3S,4aR,6aR,12aR,12bS)-3-hydroxy-4,4,6a,12b-tetramethyl-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-11-one IUPAC
deacetyl-pyripyropene E ChEBI
deacetylpyripyropene E UniProt
Citations Waiting for Citations Types Sources
20861902 PubMed citation SUBMITTER
26019565 PubMed citation Europe PMC
Last Modified
05 August 2020