Vernodalol (Q27108534)

[(4aS,5S,6R,7R,8aS)-8a-ethenyl-5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-7-yl] 2-(hydroxymethyl)prop-2-enoate

Vernodalol (English)

5 October 2016

1 reference

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₈

1 reference

Vernodalol (English)

5 October 2016

COC(=O)C(=C)C1C(CC2(COC(=O)C(=C)C2C1O)C=C)OC(=O)C(=C)CO

1 reference

Vernodalol (English)

5 October 2016

COC(=O)C(=C)[C@@H]1[C@H](C[C@@]2(COC(=O)C(=C)[C@@H]2[C@H]1O)C=C)OC(=O)C(=C)CO

1 reference

Vernodalol (English)

5 October 2016

Gymnanthemum amygdalinum

4 references

Use of Vernonia amygdalina by wild chimpanzee: possible roles of its bitter and related constituents.

Insect antifeedant elemanolide lactones from Vernonia amygdalina

Bioactive sesquiterpene lactones from the leaves of Vernonia amygdalina

Antitumoral and antimicrobial activities of bitter sesquiterpene lactones of Vernonia amygdalina, a possible medicinal plant used by wild chimpanzees.

Distephanus angulifolius

2 references

Antimalarial sesquiterpene lactones from Distephanus angulifolius.

Antiplasmodial and cytotoxic activity of isolated sesquiterpene lactones from the acetone leaf extract of Vernonia colorata

Vernonia colorata

1 reference

In vitro antiplasmodial evaluation of medicinal plants from Zimbabwe

Linzia glabra

1 reference

New Vernolepin Derivatives from Vernonia glabra and Glaucolides from Vernonia scorpioides

Baccharoides anthelmintica

1 reference

Studies on a bitter principle from Vernonia anthelmintica

Linzia rosenii

1 reference

New Vernolepin Derivatives from Vernonia glabra and Glaucolides from Vernonia scorpioides

Identifiers

InChI

InChI=1S/C20H24O8/c1-6-20-7-13(28-17(23)10(2)8-21)14(11(3)18(24)26-5)16(22)15(20)12(4)19(25)27-9-20/h6,13-16,21-22H,1-4,7-9H2,5H3/t13-,14+,15+,16-,20+/m0/s1

1 reference

Vernodalol (English)

5 October 2016

2 references

Vernodalol (English)

5 October 2016

ChEBI release 2020-09-01

2 references

https://commonchemistry.cas.org/detail?cas_rn=65388-17-2

Vernodalol (English)

5 October 2016

6 April 2021

InChIKey

1 reference

Methyl 2-[(4aR,5R,6S,7S,8aR)-5-hydroxy-7-{[2-(hydroxymethyl)acryloyl]oxy}-4-methylene-3-oxo-8a-vinyloctahydro-1H-isochromen-6-yl]acrylate (English)

5 October 2016

2 references

matched by identifier from

Vernodalol (English)

retrieved

5 October 2016

InChIKey

ChEBI ID

9960

mapping relation type

2 references

matched by identifier from

Vernodalol (English)

retrieved

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H24O8/c1-6-20-7-13(28-17(23)10(2)8-21)14(11(3)18(24)26-5)16(22)15(20)12(4)19(25)27-9-20/h6,13-16,21-22H,1-4,7-9H2,5H3/t13-,14+,15+,16-,20+/m0/s1

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

VERNODALOL (English)

5 October 2016

1 reference

2 references

matched by identifier from

InChIKey

DSSTOX compound identifier

0 references

1 reference

Vernodalol (English)

5 October 2016

1 reference