Quinalizarin
fo-f03a29fa6262aabd
Identity
- Type
- Neutral molecule
- CAS
- 81-61-8
- EC
- 201-366-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
16- 1,2,5,8-tetrahydroxy-9,10-anthracenedione
- 1,2,5,8-tetrahydroxy-9,10-anthraquinone
- 1,2,5,8-tetrahydroxyanthra-9,10-quinone
- 1,2,5,8-tetrahydroxyanthracene-9,10-dione
- 1,2,5,8-tetrahydroxyanthraquinone
- 1,4,5,6-tetrahydroxyanthraquinone
- 9,10-Anthracenedione, 1,2,5,8-tetrahydroxy-
- Alizarin Bordeaux BD
- Alizarinbordeaux
- Alizarine Bordeaux
- Alizarine Bordeaux B
- Anthraquinone, 1,2,5,8-tetrahydroxy-
- C.I. Mordant Violet 26
- Khinalizarin
- Quinalizarine
- Quinazarin
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | VBHKTXLEJZIDJF-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H |
| IUPAC name chemrof:IUPAC_name | 1,2,5,8-tetrahydroxy-9,10-anthracenedione |
| Molecular formula chemrof:molecular_formula | C14H8O6 |
| Molecular mass chemrof:molecular_mass | 272.212 |
| Monoisotopic mass chemrof:monoisotopic_mass | 272.032088, 272.03209 |
| SMILES string chemrof:smiles_string | O=C1c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21 |
Known URLs
27Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=81-61-8 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37495 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.243 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4052558 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB08660 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB08660 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=144046 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4896 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL29898 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:47320 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6D43C3LYSG | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0257032 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.860A | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55598 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/UG5N17JR46XZ | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL29898 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/5004 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001389 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/1650428 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25278378 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25882195 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26558278 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26728669 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26781335 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1889617 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q1073575 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Quinalizarin | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 03863ea7-7e16-4ff1-878c-fc2ebcf7a9cc | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 8d100b9f-c708-4cd6-97d2-e488275a1e6e | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| cb1df4ba-525f-4855-8048-f3fa825bb884 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| d0071594-fe69-43d7-83e1-cf3ec2f31ea4 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c554495a-e9a5-4f2a-a6b0-144fb1ae367f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 9a33f206-72f8-42f2-979c-1196098bed41 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 9a158a1a-6525-44ad-a315-0125bc2dfcfc | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 7162e8dc-8949-4c44-896a-3522adca9420 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 724d87b6-9fb6-415b-ad98-ad42ead2ed3a | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| e5c92f1b-e217-4d4d-9a5e-97ebe69023f4 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d4575e35-b63e-429e-bb93-bb732f38b72e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| d7ada7f3-6b55-46c4-bbec-54980b199f4f | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| c7e0c95e-d06a-4c91-a505-298bed27dad8 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works