Compound: 9,10-Anthracenedione, 1,2,4-trihydroxy-
SMILES: O=C1c2c(O)c(O)cc(c2C(=O)c3c1cccc3)O
InChIKey: BBNQQADTFFCFGB-UHFFFAOYSA-N
Synonyms: 9,10-Anthracenedione, 1,2,4-trihydroxy-, purpurin anthraquinone, RefChem:46677, PURPURIN, 81-54-9, 1,2,4-trihydroxyanthracene-9,10-dione, 1,2,4-Trihydroxyanthraquinone, Verantin, Purpurine, Hydroxylizaric acid, Smoke Brown G, 1,2,4-Trihydroxy-9,10-anthracenedione, 1,2,4-Trihydroxy-9,10-anthraquinone, C.I. 58205, 1,2,4-Trihydroxyanthrachinon, Anthraquinone, 1,2,4-trihydroxy-, C.I. 75410, MFCD00001203, C.I. 1037, 1,2,4-trihydroxy-9,10-dihydroanthracene-9,10-dione, C.I. Natural Red 8, C.I. Natural Red 16, 1,2,4-Trihydroxyanthra-9,10-quinone, L1GT81LS6N, MLS002473304, CHEBI:8645, DTXSID4021214, NSC10447, NSC-10447, Purpurin (85%), SMR001306802, Oxylizarinic acid, CCRIS 3527, EINECS 201-359-8, NSC 10447, UNII-L1GT81LS6N, 1,2,4-Trihydroxyanthrachinon [Czech], BRN 1887127, Alizarin purpurin, 4-Hydroxyalizarin, 9TF, Purpurin (Standard), PURPURIN (DYE), Purpurin (85per cent), PURPURIN [MI], Spectrum2_000037, Spectrum3_001947, 1,4-Trihydroxyanthrachinon, Epitope ID:116185, NCIMech_000036, 1,4-Trihydroxyanthraquinone, cid_6683, 9, 1,2,4-trihydroxy-, SCHEMBL33871, BSPBio_003547, 4-08-00-03568 (Beilstein Handbook Reference), hsp90_173, MLS002207287, SPECTRUM1505300, Purpurin, Dye content 90 %, SPBio_000133, Anthraquinone,2,4-trihydroxy-, CHEMBL294264, DTXCID401214, orb1301621, orb3140471, SCHEMBL29429206, SCHEMBL29539242, 1,2,4-Trihydroxy-Anthraquinone, BDBM67454, HY-N0571R, KBio3_002835, GLXC-07471, HMS2232F04, HMS3374D11, HY-N0571, Tox21_301526, 1,4-Trihydroxy-9,10-anthraquinone, CCG-35463, s4963, SBB006444, STK396669, AKOS001482720, 1,2,4-Trihydroxy-9,10-anthrachinon, 4,9,10-trihydroxy-1,2-anthraquinone, EBC-609883, FP01409, SDCCGMLS-0066870.P001, CAS-81-54-9, NCGC00095346-01, NCGC00095346-02, NCGC00095346-03, NCGC00255399-01, WLN: L C666 BV IVJ DQ EQ GQ, AC-34603, AS-63166, DA-67019, NCI60_000107, ST055354, SY051035, 1,2,4-Trihydroxyanthra-9,10-quinone #, 1,2,4-tris(oxidanyl)anthracene-9,10-dione, CS-0009108, EU-0000318, NS00014423, P0605, Purpurin, for spectrophotometric det. (of B, Pb), Q116472, SR-05000002508, doi:10.14272/BBNQQADTFFCFGB-UHFFFAOYSA-N.1, SR-05000002508-1, InChI=1/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19
Theoretical properties:
molecular_formula: C14H8O5
molecular_weight: 256.21 g/mol
exact_mass: 256.03717335 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 0
heavy_atom_count: 19
topological_polar_surface_area: 94.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Purpurin is a trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4. It has a role as a biological pigment, a plant metabolite and a histological dye.
chebi: A trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4.
chembl: PURPURIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.