Compound: Aloe-emodin
SMILES: O=C1c2c(O)cc(CO)cc2C(=O)c3c1c(O)ccc3
InChIKey: YDQWDHRMZQUTBA-UHFFFAOYSA-N
Synonyms: Aloe-emodin, Aloe emodin, 481-72-1, Aloeemodin, Rhabarberone, 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione, 3-Hydroxymethylchrysazin, 3-Hydroxymethylchrysazine, 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone, 1,8-Dihydroxy-3-hydroxymethylanthraquinone, 1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthracenedione, C8IYT9CR7C, DTXSID2030695, NSC-38628, CHEBI:2607, DTXCID0010695, RefChem:27157, 207-571-7, Aloe-emodine, 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-, EMODINE, NSC 38628, MFCD00017373, 3-(Hydroxymethyl)chrysazin, CHEMBL40275, 1,8-dihydroxy-3-hydroxymethyl-anthraquinone, NSC38628, 1,8-Dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone, 1,8-DIHYDROXY-3-(HYDROXYMETHYL)-9,10-DIHYDROANTHRACENE-9,10-DIONE, Anthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-, 1286579-72-3, Aloe-emodol, 1,8-Dihydroxy-3-(hydroxymethyl)-anthracene-9,10-dione (Aloe-Emodin), SMR000470920, CCRIS 3526, Diacerein EP Impurity B, EINECS 207-571-7, UNII-C8IYT9CR7C, BRN 2059062, aloe-emodinin, AloeEmodine, Aloeemodin;, Rottlerin?, Aloe-emodin;, Aloe emodin (Standard), Diacerein impurity B CRS, ALOE-EMODIN [MI], 4-08-00-03578 (Beilstein Handbook Reference), cid_10207, MLS000697563, MLS006011799, SCHEMBL309756, ANTHRAQUINONE, 1,8-DIHYDROXY-3-HYDROXYMETHYL-, orb1304946, orb3140295, Aloe-emodin, analytical standard, SCHEMBL29398579, SCHEMBL29814516, Aloe-emodin - Bio-X trade mark, HY-N0189R, Aloe-emodin, >=95% (HPLC), HMS3655N16, EX-A6788, HY-N0189, MSK40044, Tox21_302400, AC-020, BBL027838, BDBM50085551, LMPK13040002, s2259, STL146380, AKOS005720864, CCG-208456, CS-3709, EBC-459060, FA17318, 9, 1,8-dihydroxy-3-(hydroxymethyl)-, SMP2_000291, NCGC00163510-01, NCGC00163510-02, NCGC00163510-03, NCGC00255349-01, AS-11638, BA164148, CAS-481-72-1, NCI60_003685, A2491, NS00018020, SW219916-1, Anthraquinone,8-dihydroxy-3-(hydroxymethyl)-, 1,8-Dihydroxy-3-(hydroxymethyl) anthraquinone, F300785, SR-01000765772, 1,8-dihydroxy-3-hydroxymethyl-9,10-anthracenedione, Q3533249, SR-01000765772-3, BRD-K04851519-001-06-8, DIHYDROXY-3-HYDROXYMETHYLANTHRAQUINONE, 1,8-, 1,8-Dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone #, 1,8-Dihydroxy-3-hydroxymethyl-9,10-anthracenedione, 9CI, 9,?10-?Anthracenedione, 1,?8-?dihydroxy-?3-?(hydroxymethyl)?-, 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-hydroxymethyl-anthracene, Diacerein impurity B, European Pharmacopoeia (EP) Reference Standard, InChI=1/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H
Theoretical properties:
molecular_formula: C15H10O5
molecular_weight: 270.24 g/mol
exact_mass: 270.05282342 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 1
heavy_atom_count: 20
topological_polar_surface_area: 94.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 221 - 223 °C
Descriptions:
pubchem: Aloe emodin is a dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe. It has a role as an antineoplastic agent and a plant metabolite. It is an aromatic primary alcohol and a dihydroxyanthraquinone. It is functionally related to a chrysazin.
chebi: A dihydroxyanthraquinone that is  chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus <em>Aloe</em>.
chembl: ALOE-EMODIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Aloe emodin (1,8-dihydroxy-3-(hydroxymethyl)anthraquinone) is an anthraquinone and an isomer of emodin present in aloe latex, an exudate from the aloe plant. It has a strong stimulant-laxative action.  Aloe emodin is not carcinogenic when applied to the skin, although it may increase the carcinogenicity of some kinds of radiation.
Aloe emodin is found in the gel, sap or leaves of aloe vera, the socotrine aloe, and Zanzibar aloes, the bark of Frangula (Rhamnus frangula) and cascara sagrada (Rhamnus purshiana), the leaves of Senna (Cassia angustifolia), and the rhizome of rhubarb (Rheum rhaponticum).
Aloe-emodin has not been found in Natal aloes.