solanapyrone A (CHEBI:38229)

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ChEBI Name	solanapyrone A

ChEBI ID	CHEBI:38229

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H22O4

Net Charge

Average Mass

302.36488

Monoisotopic Mass

302.15181

InChI

InChI=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

InChIKey

AWQLNKJBXASXDU-SFDCBXKLSA-N

SMILES

[H]C(=O)c1c(OC)cc(oc1=O)[C@@H]1[C@@H](C)C=C[C@@]2([H])CCCC[C@@]12[H]

Roles Classification
Biological Role(s):	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. (via solanapyrone )

ChEBI Ontology
Outgoing	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	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

Last Modified

07 September 2017