(Q105141799)

English

7-[[(2E)-5-[(R)-3,3-Dimethyloxiranyl]-3-methyl-2-pentenyl]oxy]-2H-1-benzopyran-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

7-[5-(3,3-Dimethyloxiran-2-yl)-3-methylpent-2-enoxy]chromen-2-one

1 reference

1 reference

314.151809184 dalton

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based on heuristic

inferred from SMILES

stereoisomer of

7-{[(2E)-5-[(2S)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-en-1-yl]oxy}chromen-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₂O₄

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canonical SMILES

O=C1OC=2C=C(OCC=C(C)CCC3OC3(C)C)C=CC2C=C1

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isomeric SMILES

C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@H]1OC1(C)C

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found in taxon

Aegle marmelos

1 reference

stated in

Chemical constituents from Aegle marmelos

Baccharis pteronioides

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stated in

Sesqui- and diterpenes from Baccharis species

Citrus hassaku

1 reference

stated in

Epoxyaurapten and Marmin from Juice Oil in Hassaku (Citrus hassaku) and the Spasmolytic Activity of 7-Geranyloxycoumarin-related Compounds

Zanthoxylum schinifolium

1 reference

stated in

Coumarins and anti-platelet aggregation constituents from Zanthoxylum schinifolium

Citrus medica

1 reference

stated in

Epoxyaurapten and Marmin from Juice Oil in Hassaku (Citrus hassaku) and the Spasmolytic Activity of 7-Geranyloxycoumarin-related Compounds

Citrus medica var. sarcodactylis

1 reference

stated in

Epoxyaurapten and Marmin from Juice Oil in Hassaku (Citrus hassaku) and the Spasmolytic Activity of 7-Geranyloxycoumarin-related Compounds

Identifiers

InChI

InChI=1S/C19H22O4/c1-13(4-8-17-19(2,3)23-17)10-11-21-15-7-5-14-6-9-18(20)22-16(14)12-15/h5-7,9-10,12,17H,4,8,11H2,1-3H3/b13-10+/t17-/m1/s1

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InChIKey

KJDXYWIMMJVFLH-JIIJFUIFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KJDXYWIMMJVFLH-JIIJFUIFSA-N

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

KJDXYWIMMJVFLH-JIIJFUIFSA-N

(Q105141799)

7-[[(2E)-5-[(R)-3,3-Dimethyloxiranyl]-3-methyl-2-pentenyl]oxy]-2H-1-benzopyran-2-one

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