β-thujaplicinol (Q27461786)

From Wikidata

Jump to navigation Jump to search

chemical compound

• beta-thujaplicinol
• 2,3-dihydroxy-5-isopropylcyclohepta-2,4,6-trienone

edit

Language	Label	Description	Also known as
English	β-thujaplicinol	chemical compound	beta-thujaplicinol 2,3-dihydroxy-5-isopropylcyclohepta-2,4,6-trienone

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

thujaplicinol

0 references

chemical structure

Beta-thujaplicinol.svg
415 × 295; 9 KB

0 references

mass

180.079±0 dalton

1 reference

stated in

PubChem

PubChem CID

72605

language of work or name

English

title

beta-Thujaplicinol (English)

retrieved

19 October 2016

chemical formula

C₁₀H₁₂O₃

1 reference

stated in

PubChem

PubChem CID

72605

language of work or name

English

title

beta-Thujaplicinol (English)

retrieved

19 October 2016

canonical SMILES

CC(C)C1=CC(=O)C(=C(C=C1)O)O

1 reference

stated in

PubChem

PubChem CID

72605

language of work or name

English

title

beta-Thujaplicinol (English)

retrieved

19 October 2016

Identifiers

InChI

InChI=1S/C10H12O3/c1-6(2)7-3-4-8(11)10(13)9(12)5-7/h3-6H,1-2H3,(H2,11,12,13)

1 reference

stated in

PubChem

PubChem CID

72605

language of work or name

English

title

beta-Thujaplicinol (English)

retrieved

19 October 2016

InChIKey

HVGNSPLLPQWYGC-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

72605

language of work or name

English

title

beta-Thujaplicinol (English)

retrieved

19 October 2016

CAS Registry Number

4356-35-8

0 references

ChemSpider ID

65481

1 reference

stated in

ChemSpider

ChemSpider ID

65481

language of work or name

English

title

2,7-Dihydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one (English)

retrieved

19 October 2016

PubChem CID

72605

2 references

stated in

PubChem

PubChem CID

72605

language of work or name

English

title

beta-Thujaplicinol (English)

retrieved

19 October 2016

matched by identifier from

InChIKey

InChIKey

HVGNSPLLPQWYGC-UHFFFAOYSA-N

ChEMBL ID

CHEMBL550937

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL550937

language of work or name

English

title

BETA-THUJAPLICINOL (English)

retrieved

19 October 2016

SureChEMBL ID

SCHEMBL26124690

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

HVGNSPLLPQWYGC-UHFFFAOYSA-N

UniChem compound ID

209249

1 reference

stated in

UniChem

NMRShiftDB structure ID

20140739

1 reference

matched by identifier from

InChIKey

InChIKey

HVGNSPLLPQWYGC-UHFFFAOYSA-N

DSSTox substance ID

DTXSID70195876

1 reference

stated in

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

DTXSID701356853

1 reference

matched by identifier from

InChIKey

InChIKey

HVGNSPLLPQWYGC-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID10118367

0 references

NSC number

18806

0 references

UNII

UW241P2H16

1 reference

matched by identifier from

InChIKey

InChIKey

HVGNSPLLPQWYGC-UHFFFAOYSA-N

PDB ligand ID

JTH

0 references

PDB structure ID

3IG1

1 reference

stated in

Protein Data Bank

PDB structure ID

3IG1

language of work or name

English

title

3IG1 (English)

retrieved

19 October 2016

3K2P

1 reference

stated in

Protein Data Bank

PDB structure ID

3K2P

language of work or name

English

title

3K2P (English)

retrieved

19 October 2016

3V1R

1 reference

stated in

Protein Data Bank

PDB structure ID

3V1R

language of work or name

English

title

3V1R (English)

retrieved

19 October 2016

5C2F

1 reference

stated in

Protein Data Bank

PDB structure ID

5C2F

language of work or name

English

title

5C2F (English)

retrieved

19 October 2016

 

Sitelinks

Wikipedia(0 entries)

edit

Wikibooks(0 entries)

edit

Wikinews(0 entries)

edit

Wikiquote(0 entries)

edit

Wikisource(0 entries)

edit

Wikiversity(0 entries)

edit

Wikivoyage(0 entries)

edit

Wiktionary(0 entries)

edit

Multilingual sites(0 entries)

edit

Retrieved from "https://www.wikidata.org/w/index.php?title=Q27461786&oldid=2161188143"