(Q105290601)

English

methyl 3,5-dimethoxy-2-[4-oxo-6-[(E)-prop-1-enyl]-1H-pyridine-3-carbonyl]benzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkaloid

0 references

mass

357.121237328 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₁₉NO₆

0 references

canonical SMILES

O=C(OC)C=1C=C(OC)C=C(OC)C1C(=O)C2=CNC(C=CC)=CC2=O

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isomeric SMILES

C/C=C/c1cc(=O)c(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c[nH]1

1 reference

2 references

Penicidones A-C, three cytotoxic alkaloidal metabolites of an endophytic Penicillium sp.

stated in

Penicidones A-C, three cytotoxic alkaloidal metabolites of an endophytic Penicillium sp.

Identifiers

InChI

InChI=1S/C19H19NO6/c1-5-6-11-7-15(21)14(10-20-11)18(22)17-13(19(23)26-4)8-12(24-2)9-16(17)25-3/h5-10H,1-4H3,(H,20,21)/b6-5+

0 references

InChIKey

VPAOKPNCSUMTKK-AATRIKPKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VPAOKPNCSUMTKK-AATRIKPKSA-N

ChEBI ID

217148

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C19H19NO6/c1-5-6-11-7-15(21)14(10-20-11)18(22)17-13(19(23)26-4)8-12(24-2)9-16(17)25-3/h5-10H,1-4H3,(H,20,21)/b6-5+

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

VPAOKPNCSUMTKK-AATRIKPKSA-N

Natural Product Atlas ID

NPA019815

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VPAOKPNCSUMTKK-AATRIKPKSA-N

(Q105290601)

methyl 3,5-dimethoxy-2-[4-oxo-6-[(E)-prop-1-enyl]-1H-pyridine-3-carbonyl]benzoate

Statements

Identifiers

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