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Quinalizarin

PubChem CID: 5004

Connections displayed (default: 10).
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Compound Synonyms quinalizarin, 1,2,5,8-Tetrahydroxyanthraquinone, 81-61-8, Alizarinbordeaux, 1,2,5,8-tetrahydroxyanthracene-9,10-dione, Alizarine Bordeaux B, Khinalizarin, Quinalizarine, Alizarine Bordeaux, 1,4,5,6-Tetrahydroxyanthraquinone, C.I. Mordant Violet 26, Alizarin Bordeaux BD, 1,2,5,8-Tetrahydroxy-9,10-anthraquinone, C.I. 58500, 1,2,5,8-Tetrahydroxy-9,10-anthracenedione, 9,10-Anthracenedione, 1,2,5,8-tetrahydroxy-, NSC 4896, 1,2,5,8-Tetrahydroxy anthraquinone, CCRIS 5598, NSC 144046, Anthraquinone, 1,2,5,8-tetrahydroxy-, 1,2,5,8-Tetrahydroxyanthracinon, UNII-6D43C3LYSG, EINECS 201-366-6, BRN 1889617, QUINAZARIN, CHEBI:37495, NSC4896, PHF 016, 1,2,5,8-Tetrahydroxyanthra-9,10-quinone, NSC-4896, 1,2,5,8-Tetrahydroxy-Anthraquinone, QUINALIZARIN [MI], NSC-144046, 6D43C3LYSG, CHEMBL29898, DTXSID4052558, 4-08-00-03683 (Beilstein Handbook Reference), 1, 2, 5, 8-Tetrahydroxyanthraquinone, 1,5,8-Tetrahydroxyanthracinon, 9, 1,2,5,8-tetrahydroxy-, 1,5,8-Tetrahydroxyanthraquinone, 1,2,5,8-tetrahydroxy-9,10-dihydroanthracene-9,10-dione, Anthraquinone,2,5,8-tetrahydroxy-, 1,5,8-Tetrahydroxy-9,10-anthraquinone, Alizarinbordeux, Chinalizarin, Quinalizarin, E, TXQ, Mordant Violet 26, MFCD00001205, Spectrum_000952, 3fl5, Spectrum2_001362, Spectrum3_000778, Spectrum4_000998, Spectrum5_000846, BSPBio_002456, KBioGR_001435, KBioSS_001432, DivK1c_000144, SCHEMBL138122, SPECTRUM1500759, SPBio_001284, 1,2,5,8Tetrahydroxyanthracinon, DTXCID5031131, HMS500H06, KBio1_000144, KBio2_001432, KBio2_004000, KBio2_006568, KBio3_001676, Quinalizarin, >=95% (HPLC), 1,2,5,8Tetrahydroxyanthraquinone, 1,4,5,6Tetrahydroxyanthraquinone, NINDS_000144, HMS1923K15, 1,2,5,8Tetrahydroxy anthraquinone, Anthraquinone, 1,2,5,8tetrahydroxy, BBL012309, BDBM50041419, CCG-38979, NSC144046, STK803167, AKOS004901435, DB08660, 1,2,5,8Tetrahydroxy9,10anthraquinone, IDI1_000144, NCGC00095268-01, NCGC00095268-02, NCGC00095268-03, 1,2,5,8Tetrahydroxy9,10anthracenedione, NCI60_004175, VS-03274, 1,5,8,10-tetrahydroxy-2,9-anthraquinone, 2,5,8,9-tetrahydroxy-1,10-anthraquinone, 2,8,9,10-tetrahydroxy-1,5-anthraquinone, 4,5,6,9-tetrahydroxy-1,10-anthraquinone, 4,7,8,9-tetrahydroxy-1,10-anthraquinone, 4,8,9,10-tetrahydroxy-1,7-anthraquinone, 5,6,9,10-tetrahydroxy-1,4-anthraquinone, 5,8,9,10-tetrahydroxy-1,2-anthraquinone, 9,10Anthracenedione, 1,2,5,8tetrahydroxy, HY-124833, NS00021368, 1,2,5,8-Tetrahydroxyanthra-9,10-quinone #, SR-01000196297, Q1073575, SR-01000196297-1
Topological Polar Surface Area 115.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 435.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q7ZJM1, n.a., Q03164, P10828, P46063, Q99714, B2RXH2, P27695, Q9NUW8, P10636, P04049, P51450, P28482, P00352, P97697, P16050, P38398, O97447, Q02750, O75604, P15428, P04637, P08684, O15296, P11473, Q9UBT6, O94782, P22309, Q9HAW8, P35503, P22310, Q9HAW9, P54855, Q9NPD5, Q9Y6L6, P19784, P19139, P68400, P43351
Iupac Name 1,2,5,8-tetrahydroxyanthracene-9,10-dione
Prediction Hob 1.0
Target Id NPT46, NPT47, NPT149, NPT48, NPT49, NPT50, NPT51, NPT1424, NPT282, NPT94, NPT792, NPT157, NPT491, NPT45, NPT151, NPT539, NPT109, NPT1598, NPT1274
Xlogp 2.5
Molecular Formula C14H8O6
Prediction Swissadme 0.0
Inchi Key VBHKTXLEJZIDJF-UHFFFAOYSA-N
Fcsp3 0.0
Logs -3.844
Rotatable Bond Count 0.0
Logd 1.442
Compound Name Quinalizarin
Prediction Hob Swissadme 0.0
Exact Mass 272.032
Formal Charge 0.0
Monoisotopic Mass 272.032
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 272.21
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.5782144
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
Smiles C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0