(Q104389968)

English

7-{[(2E,6R)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}chromen-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

7-(6,7-Dihydroxy-3,7-dimethyloct-2-enoxy)chromen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

332.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

7-[(6R)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]chromen-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

7-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]chromen-2-one

1 reference

1 reference

C₁₉H₂₄O₅

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Citrus hassaku

3 references

stated in

Coumarin Constituents of the Juice Oil fromCitrus hassakuand Their Spasmolytic Activity

stated in

Epoxyaurapten and marmin from juice oil in hassaku (Citrus hassaku) and the spasmolytic activity of 7-geranyloxycoumarin-related compounds.

stated in

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

Aegle marmelos

4 references

stated in

Two New 7-Geranyloxycoumarins from the Bark of Aegle Marmelos, an Indonesian Medicinal Plant

stated in

Pharmacological, microbiological and phytochemical studies on roots of Aegle marmelos

stated in

Effects of constituents of Beli (Aegle marmelos) on spontaneous beating and calcium-paradox of myocardial cells

stated in

Semisynthetic studies identify mitochondria poisons from botanical dietary supplements--geranyloxycoumarins from Aegle marmelos.

Solidago drummondii

1 reference

stated in

Alicyclic diterpenes from solidago species.

Citrus wilsonii

1 reference

stated in

Chemical and biological comparison of the fruit extracts of Citrus wilsonii Tanaka and Citrus medica L.

Citrus medica

3 references

stated in

Coumarin Constituents of the Juice Oil fromCitrus hassakuand Their Spasmolytic Activity

stated in

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

stated in

Epoxyaurapten and marmin from juice oil in hassaku (Citrus hassaku) and the spasmolytic activity of 7-geranyloxycoumarin-related compounds.

Citrus × paradisi

1 reference

stated in

Minor furanocoumarins and coumarins in grapefruit peel oil as inhibitors of human cytochrome P450 3A4.

Identifiers

InChI

InChI=1S/C19H24O5/c1-13(4-8-17(20)19(2,3)22)10-11-23-15-7-5-14-6-9-18(21)24-16(14)12-15/h5-7,9-10,12,17,20,22H,4,8,11H2,1-3H3/b13-10+/t17-/m1/s1

0 references

InChIKey

QYYKWTUUCOTGNS-JIIJFUIFSA-N

0 references

CAS Registry Number

14957-38-1

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

26 December 2021

matched by identifier from

InChIKey

QYYKWTUUCOTGNS-JIIJFUIFSA-N

1 reference

1 reference

matched by identifier from

InChIKey

QYYKWTUUCOTGNS-JIIJFUIFSA-N

(Q104389968)

7-{[(2E,6R)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}chromen-2-one

Statements

Identifiers

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