(Q27106336)

English

daphnetoxin

chemical compound

(2S)-3abeta,3bbeta,3cbeta,4a,5,5a,8aalpha,9,10,10a-decahydro-5beta,5abeta-dihydroxy-4abeta-hydroxymethyl-7,9alpha-dimethyl-10abeta-(1-methylethenyl)-2-phenyl-6H-2,8balpha-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one

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Statements

instance of

type of chemical entity

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1 reference

Daphnetoxin.svg
449 × 298; 12 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

482.194068±0 dalton

1 reference

language of work or name

CHEBI:4321 (English)

5 October 2016

(1R,2S,6S,7S,8R,10S,11S,12R,14S,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₀O₈

1 reference

language of work or name

CHEBI:4321 (English)

5 October 2016

CC1CC2(C3C4C1(C5C=C(C(=O)C5(C(C6(C4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C

1 reference

language of work or name

CHEBI:4321 (English)

5 October 2016

C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5([C@@H]([C@@]6([C@H]4O6)CO)O)O)C)O[C@](O3)(O2)C7=CC=CC=C7)C(=C)C

1 reference

language of work or name

CHEBI:4321 (English)

5 October 2016

1 reference

Coumarins and flavonoids from Daphne gnidioides

Daphne gnidium

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stated in

Daphnetoxin interacts with mitochondrial oxidative phosphorylation and induces membrane permeability transition in rat liver

Daphne mezereum

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stated in

Triumbellin, A tricoumarin rhamnopyranoside from Daphne mezereum

Commons category

Daphnetoxin

0 references

Identifiers

InChI

InChI=1S/C27H30O8/c1-13(2)23-11-15(4)26-17-10-14(3)19(29)25(17,31)22(30)24(12-28)21(32-24)18(26)20(23)33-27(34-23,35-26)16-8-6-5-7-9-16/h5-10,15,17-18,20-22,28,30-31H,1,11-12H2,2-4H3/t15-,17-,18-,20-,21+,22-,23-,24+,25-,26+,27-/m1/s1

1 reference

language of work or name

CHEBI:4321 (English)

5 October 2016

LGEROVMQYFTBDI-FFIGBMOQSA-N

2 references

language of work or name

CHEBI:4321 (English)

5 October 2016

ChEBI release 2020-09-01

2 references

language of work or name

English

title

daphnetoxin (English)

retrieved

5 October 2016

InChIKey

LGEROVMQYFTBDI-FFIGBMOQSA-N

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=28164-88-7

1 reference

language of work or name

English

title

(1R,2R,6S,7S,8R,10S,11S,12R,14S,16R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-phenyl-9,13,15,19-tetraoxahexacyclo[12.4.1.0~1,11~.0~2,6~.0~8,10~.0~12,16~]nonadec-3-en-5-one (English)

5 October 2016

1 reference

language of work or name

English

title