(Q27272908)

English

wikstrotoxin d

chemical compound

In more languages

Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from SMILES

532.304±0 dalton

1 reference

language of work or name

Simplexin (English)

14 October 2016

stereoisomer of

(1R,2R,6S,7S,8R,10S,11S,12R,14R,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nonyl-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

(1R,2S,6S,7S,8R,10S,11S,12R,14S,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-nonyl-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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₈

1 reference

language of work or name

Simplexin (English)

14 October 2016

canonical SMILES

CCCCCCCCCC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(CC3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO

1 reference

language of work or name

Simplexin (English)

14 October 2016

isomeric SMILES

CCCCCCCCC[C@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H](C[C@@]3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO

1 reference

language of work or name

Simplexin (English)

14 October 2016

Wikstroemia monticola

1 reference

Daphnane Diterpenes from Wikstroemia monticola: Wikstrotoxins A-D, Huratoxin, and Excoecariatoxin

1 reference

Daphnane-type diterpenes with inhibitory activities against human cancer cell lines from Daphne genkwa

Stellera chamaejasme

3 references

Topoisomerase II inhibitors from the roots of Stellera chamaejasme L.

Stelleralides A-C, novel potent anti-HIV daphnane-type diterpenoids from Stellera chamaejasme L

Biflavanones, diterpenes, and coumarins from the roots of Stellera chamaejasme L.

Pimelea simplex

2 references

The Constituents of Australian Pimelea spp. I. The Isolation and Structure of the Toxin of Pimelea simplex and P. trichostachya Form B Responsible for St. George Disease of Cattle

Some cytotoxic effects of mixtures of simplexin and huratoxin obtained from the desert rice flower, Pimelea simplex

Pimelea prostrata

1 reference

Antineoplastic agents, 88. Pimelea prostrata

Diarthron vesiculosum

1 reference

Daphnane diterpenes from Diarthron vesiculosum: vesiculosin and isovesiculosin

Identifiers

InChI=1S/C30H44O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h14,19-21,23-25,31,33-34H,2,6-13,15-16H2,1,3-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28-,29-,30+/m1/s1

1 reference

language of work or name

Simplexin (English)

14 October 2016

JAQJQYMDHBSCKO-JDVVNZBPSA-N

1 reference

language of work or name

Simplexin (English)

14 October 2016

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

wikstrotoxin d (English)

14 October 2016

JAQJQYMDHBSCKO-JDVVNZBPSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1404-62-2

1 reference

language of work or name

(1R,2R,6S,7S,8R,10S,11S,12R,14S,16R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-nonyl-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)

14 October 2016

1 reference

language of work or name

Simplexin (English)

14 October 2016

1 reference

language of work or name

SIMPLEXIN (English)

14 October 2016

UniChem compound ID

1 reference

DSSTox substance ID

0 references

DSSTOX compound identifier

DTXCID401359503

0 references

1 reference

Global Substance Registration System

language of work or name

wikstrotoxin d (English)

14 October 2016

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q27272908&oldid=2129482121"