Rhein
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Formula: C15H8O6
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Molecular weight: 284.22
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Smiles: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O
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Type: Anthraquinoid
Rhein
Names
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Mycotoxin name: Rhein
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First synonym: None
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Synonyms: Rhein,478-43-3,Monorhein,Rhubarb Yellow,Cassic acid,Rheic acid,1,8-Dihydroxy-3-carboxyanthraquinone,4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid,4,5-Dihydroxyanthraquinone-2-carboxylic acid,Chrysazin-3-carboxylic acid,1,8-Dihydroxyanthraquinone-3-carboxylic acid,NSC 38629,4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid,MFCD00009618,9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid,2-Anthracenecarboxylic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-,Rhein (1,8-dihydroxy-3-carboxyl anthraquinone),YM64C2P6UX,MLS000069639,CHEBI:8825,2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-,4,5-Dihydroxy-2-anthraquinonecarboxylic acid,DTXSID4026000,4,5-DiOH-anthraquinone-2-COOH,9,10-Dihydro-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid,NSC-38629,SMR000058210,Rheinic acid,dipropionyl rhein,1,8-DIHYDROXY-3-CARBOXYL ANTHRAQUINONE,9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthroic acid,Parietic acid,C15H8O6,Rhein(Monorhein),CCRIS 5129,EINECS 207-521-4,UNII-YM64C2P6UX,BRN 2222155,RHN,Rhein,(S),Rhein Rhubarb Yellow,Rhein, technical grade,4ie7,ST057726,regid855879,RHEIN [MI],Rhein, analytical standard,1,8-dihydroxy-3-carboxyl-9,10-anthraquinone,SCHEMBL25253,US9238626, Rhein,4-10-00-04088 (Beilstein Handbook Reference),cid_10168,MLS006011744,CHEMBL418068,DTXCID606000,MEGxp0_001866,4,5-dihydroxy-9,10-dioxo-anthracene-2-carboxylic acid,ACon1_000217,BDBM32021,BCP28202,HY-N0105,NSC38629,Tox21_201098,4,5-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylicacid,BBL009695,LMPK13040015,s2400,STL141046,AKOS005259272,AC-7978,CS-5239,DB13174,NCGC00018199-01,NCGC00018199-02,NCGC00018199-03,NCGC00018199-04,NCGC00018199-05,NCGC00018199-06,NCGC00018199-07,NCGC00023342-03,NCGC00023342-04,NCGC00258650-01,AS-11635,CAS-478-43-3,SY051290,DB-014981,D3986,NS00015851,4, 5-Dihydroxyanthraquinone-2-carboxylic acid,2-Anthraquinonecarboxylic acid, 4,5-dihydroxy-,EN300-303248,DIHYDROXY-3-CARBOXYLANTHRAQUINONE, 1,8-,Q720356,Q-100512,4,5-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
Identifiers / External links
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CAS: 001-01-9,001-10-0,478-43-3,10-00-0
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PubChem CID: 10168
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DSS TOX CID: DTXCID606000
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ChEMBL: CHEMBL418068,CHEMBL25253
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US FDA (UNII): UNII-YM64C2P6UX
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Wikidata (wiki): Q720356
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Chemical Entities of Biological Interest (CHEBI): CHEBI:8825
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CompTox Chemicals Dashboard (DTXSID): DTXSID4026000
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SCHEMBL: SCHEMBL25253
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TOX21 samples 2:Tox21_201098
Structure
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Smiles: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O
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Isomeric smiles: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O
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Inchi: InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
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Inchikey: FCDLCPWAQCPTKC-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H8O6
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Molecular weight: 284.22
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Monoisotopic mass: 284.03208797
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Fungi
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Fungi id Species