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CHEBI:38229 - solanapyrone A

Default Structure
ChEBI IDCHEBI:38229
ChEBI Namesolanapyrone A
Stars
Last Modified7 September 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H22O4
Net Charge0
Average Mass302.370
Monoisotopic Mass302.15181
SMILES[H]C(=O)c1c(OC)cc([C@@H]2[C@@H](C)C=C[C@@]3([H])CCCC[C@@]23[H])oc1=O
InChIInChI=1S/C18H22O4/c1-11-7-8-12-5-3-4-6-13(12)17(11)16-9-15(21-2)14(10-19)18(20)22-16/h7-13,17H,3-6H2,1-2H3/t11-,12+,13+,17+/m0/s1
InChIKeyAWQLNKJBXASXDU-SFDCBXKLSA-N
Roles Classification
Biological Roles:
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor  A DNA polymerase inhibitor that interferes with the action of a DNA-directed DNA polymerase (EC 2.7.7.7).
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
solanapyrone A (CHEBI:38229) has role EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor (CHEBI:131699)
solanapyrone A (CHEBI:38229) is a octahydronaphthalenes (CHEBI:138397)
solanapyrone A (CHEBI:38229) is a pyrancarbaldehyde (CHEBI:38332)
solanapyrone A (CHEBI:38229) is a solanapyrone (CHEBI:38230)
Incoming Relation(s)
3-oxazolidinecarboxylic acid, 2,2-dimethyl-4-(1-oxo-2-hexadecyn-1-yl)-, 1,1-dimethylethyl ester, (4s)- (CHEBI:184005) is a solanapyrone A (CHEBI:38229)
4-ethyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)oxazolidine (CHEBI:112755) is a solanapyrone A (CHEBI:38229)
IUPAC Name 
4-methoxy-6-[(1R,2S,4aR,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2-oxo-2H-pyran-3-carbaldehyde
Synonym  Source
(−)-solanapyrone AChemIDplus
UniProt Name  Source
(-)-solanapyrone AUniProt
Registry NumbersSources
Beilstein:4711945Beilstein
CAS:88899-61-0ChemIDplus