Compound: Rhein
SMILES: O=C1c2c(O)cc(C(=O)O)cc2C(=O)c3c1c(O)ccc3
InChIKey: FCDLCPWAQCPTKC-UHFFFAOYSA-N
Synonyms: Rhein, 478-43-3, Monorhein, Cassic acid, Rhubarb Yellow, Rheic acid, 4,5-Dihydroxyanthraquinone-2-carboxylic acid, Chrysazin-3-carboxylic acid, 1,8-Dihydroxyanthraquinone-3-carboxylic acid, 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid, 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid, DTXSID4026000, YM64C2P6UX, 2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-, NSC-38629, DTXCID606000, 1,8-dihydroxy-3-carboxyl-9,10-anthraquinone, RefChem:882948, 207-521-4, 1,8-Dihydroxy-3-carboxyanthraquinone, 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, NSC 38629, MFCD00009618, C15H8O6, Rhein CRS, 2-Anthracenecarboxylic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-, 4,5-Dihydroxy-2-anthraquinonecarboxylic acid, MLS000069639, 4,5-DiOH-anthraquinone-2-COOH, Rhein (1,8-dihydroxy-3-carboxyl anthraquinone), 9,10-Dihydro-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid, 4,5-dihydroxy-9,10-dioxo-anthracene-2-carboxylic acid, SMR000058210, ST057726, Rheinic acid, dipropionyl rhein, 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthroic acid, Parietic acid, Rhein(Monorhein), CCRIS 5129, Diacerein EP Impurity C, EINECS 207-521-4, UNII-YM64C2P6UX, BRN 2222155, Monorhein;, Rhein (Standard), RHN, Rhein; Rhubarb Yellow, Rhein, technical grade, 4ie7, regid855879, RHEIN [MI], Rhein, analytical standard, SCHEMBL25253, Chrysazin-3-carboxyli c acid, Chrysazin-3-carboxylic acid;, US9238626, Rhein, 4-10-00-04088 (Beilstein Handbook Reference), cid_10168, MLS006011744, CHEBI:8825, CHEMBL418068, MEGxp0_001866, orb1304757, orb3139669, SCHEMBL29404324, ACon1_000217, BDBM32021, HY-N0105R, GLXC-05271, HMS6018N16, FDC16642, HY-N0105, MSK40045, NSC38629, Tox21_201098, 4,5-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylicacid, BBL009695, EBC-12623, LMPK13040015, s2400, SBB001152, STL141046, AKOS005259272, AC-7978, CS-5239, DB13174, FR27724, NCGC00018199-01, NCGC00018199-02, NCGC00018199-03, NCGC00018199-04, NCGC00018199-05, NCGC00018199-06, NCGC00018199-07, NCGC00018199-10, NCGC00023342-03, NCGC00023342-04, NCGC00258650-01, AS-11635, CAS-478-43-3, SY051290, DB-014981, D3986, NS00015851, 4, 5-Dihydroxyanthraquinone-2-carboxylic acid, 1,8-DIHYDROXY-3-CARBOXYL ANTHRAQUINONE, 2-Anthraquinonecarboxylic acid, 4,5-dihydroxy-, EN300-303248, DIHYDROXY-3-CARBOXYLANTHRAQUINONE, 1,8-, F049599, Q720356, 4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid, 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylicacid, BRD-K27335680-001-01-9, BRD-K27335680-001-10-0, 2-Anthroic acid,10-dihydro-4,5-dihydroxy-9,10-dioxo-, 4,5-dihydroxy-9,10-diketo-anthracene-2-carboxylic acid, 2-Anthracenecarboxylic acid,10-dihydro-4,5-dihydroxy-9,10-dioxo-, 4,5-Dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid, 4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid, 4,5-Dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid #, 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracene carboxylic acid, 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid, 9CI, 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic Acid-13C6
Theoretical properties:
molecular_formula: C15H8O6
molecular_weight: 284.22 g/mol
exact_mass: 284.03208797 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 1
heavy_atom_count: 21
topological_polar_surface_area: 112 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: Sublimes (NTP, 1992)
melting_point: 610 °F (NTP, 1992)
solubility: less than 1 mg/mL at 63 °F (NTP, 1992)
Descriptions:
pubchem: Rhein is a dihydroxyanthraquinone.
chembl: RHEIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Rhein may refer to: