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 |
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