2/2/2021 Quinalizarina | C14H8O6 - PubChem
RESUMEN COMPUESTO Quinalizarina
PubChem CID 5004
Estructura
2D 3D
Encuentra estructuras similares
Seguridad química Environmental Irritant Hazard Hoja de datos del resumen de seguridad química de laboratorio (LCSS)
Fórmula molecular C 14 H 8 O 6
quinalizarina 1,2,5,8-tetrahidroxiantraquinona 81-61-8 Sinónimos Alizarinbordeaux Alizarine Burdeos B
Más...
Peso molecular 272,21 g / mol
Modificar Crear Fecha s 2021-01-31 2005-03-25
Quinalizarin is a tetrahydroxyanthraquinone having the four hydroxy groups at the 1-, 2-, 5- and 8-positions. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor.
ChEBI
https://pubchem.ncbi.nlm.nih.gov/compound/Quinalizarin 1/30 2/2/2021 Quinalizarina | C14H8O6 - PubChem
1 Structures
1.1 2D Structure
Chemical Structure Depiction
PubChem
1.2 3D Conformer
PubChem
1.3 Crystal Structures
PDBe Ligand Code TXQ
PDBe Structure Code 3FL5
PDBe Conformer
Protein Data Bank in Europe (PDBe)
https://pubchem.ncbi.nlm.nih.gov/compound/Quinalizarin 2/30 2/2/2021 Quinalizarina | C14H8O6 - PubChem
2 Names and Identifiers
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,2,5,8-tetrahydroxyanthracene-9,10-dione Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
PubChem
2.1.2 InChI
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 Computed by InChI 1.0.5 (PubChem release 2019.06.18)
PubChem
2.1.3 InChI Key
VBHKTXLEJZIDJF-UHFFFAOYSA-N Computed by InChI 1.0.5 (PubChem release 2019.06.18)
PubChem
2.1.4 Canonical SMILES
C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)O)O Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
PubChem
2.2 Molecular Formula
C14H8O6 Computed by PubChem 2.1 (PubChem release 2019.06.18)
PubChem
2.3 Other Identifiers
2.3.1 CAS
81-61-8
ChemIDplus; DrugBank; DTP/NCI; EPA Chemicals under the TSCA; EPA DSSTox
2.3.2 NSC Number
144046 https://pubchem.ncbi.nlm.nih.gov/compound/Quinalizarin 3/30 2/2/2021 Quinalizarina | C14H8O6 - PubChem
DTP/NCI
4896
DTP/NCI
2.3.3 UNII
6D43C3LYSG
FDA/SPL Indexing Data
2.3.4 DSSTox Substance ID
DTXSID4052558
EPA DSSTox
2.3.5 Wikipedia
Quinalizarin
Wikipedia
2.4 Synonyms
2.4.1 MeSH Entry Terms
1,2,5,8-tetrahydroxy anthraquinone quinalizarin quinalizarine
MeSH
2.4.2 Depositor-Supplied Synonyms
quinalizarin 9,10-Anthracenedione, 1,2,5,8-tetrahydroxy- BRN 1889617 Aliza 1,2,5,8-Tetrahydroxyanthraquinone Alizarin Bordeaux BD 6D43C3LYSG Chin 81-61-8 C.I. 58500 CHEMBL29898 Quin Alizarinbordeaux 1,2,5,8-Tetrahydroxy-9,10-anthracenedione 1,2,5,8-Tetrahydroxyanthra-9,10-quinone TXQ Alizarine Bordeaux B NSC 144046 CHEBI:37495 Mor 1,2,5,8-tetrahydroxyanthracene-9,10-dione 1,2,5,8-Tetrahydroxyanthracinon 1,2,5,8-Tetrahydroxy-Anthraquinone Spec Khinalizarin UNII-6D43C3LYSG 1,5,8-Tetrahydroxyanthracinon 3fl5 Quinalizarine NSC 4896 9, 1,2,5,8-tetrahydroxy- Spec Alizarine Bordeaux Anthraquinone, 1,2,5,8-tetrahydroxy- 1,5,8-Tetrahydroxyanthraquinone Spec 1,4,5,6-Tetrahydroxyanthraquinone CCRIS 5598 Anthraquinone,2,5,8-tetrahydroxy- Spec C.I. Mordant Violet 26 NSC4896 1,5,8-Tetrahydroxy-9,10-anthraquinone Spec 1,2,5,8-Tetrahydroxy-9,10-anthraquinone EINECS 201-366-6 1,2,5,8-Tetrahydroxy anthraquinone BSPB
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/Quinalizarin 4/30 2/2/2021 Quinalizarina | C14H8O6 - PubChem
https://pubchem.ncbi.nlm.nih.gov/compound/Quinalizarin 5/30