| Phytochemical Name : Rhein |
| PCNDIDR0025 |
| Pubchem CID : 10168 |
| Molecular formula: C15H8O6 |
| Canonical SMILES : C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O |
Synonymes : Rhein|478-43-3|Monorhein|Rhubarb Yellow|Rheic acid|Cassic acid|4,5-Dihydroxyanthraquinone-2-carboxylic acid|4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid|Chrysazin-3-carboxylic acid|1,8-Dihydroxy-3-carboxyanthraquinone|Rheinic acid|NSC 38629|1,8-Dihydroxyanthraquinone-3-carboxylic acid|dipropionyl rhein|4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid|9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid|2-Anthracenecarboxylic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-|C15H8O6|MFCD00009618|CCRIS 5129|EINECS 207-521-4|Rhein (1,8-dihydroxy-3-carboxyl anthraquinone)|UNII-YM64C2P6UX|BRN 2222155|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|1,8-DIHYDROXY-3-CARBOXYL ANTHRAQUINONE|4-10-00-04088 (Beilstein Handbook Reference)|9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthroic acid|Rhein(Monorhein)|Rhein - Monorhein|RHN|Rhein,(S)|Rhein; Rhubarb Yellow|Rhein, technical grade|4ie7|ST057726|regid855879|RHEIN [INCI]|RHEIN [MI]|Rhein, analytical standard|1,8-dihydroxy-3-carboxyl-9,10-anthraquinone|D0M2TY|SCHEMBL25253|US9238626, Rhein|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|C15-H8-O6|LMPK13040015|LS-129|s2400|STL141046|AKOS005259272|AC-7978|CS-5239|CS-T-41737|DB13174|NCGC00018199-01|NCGC00018199-02|NCGC00018199-03|NCGC00018199-04|NCGC00018199-05|NCGC00018199-06|NCGC00018199-07|NCGC00023342-03|NCGC00023342-04|NCGC00258650-01|AM807834|AS-11635|CAS-478-43-3|SY051290|D3986|FT-0645050|FT-0674401|4, 5-Dihydroxyanthraquinone-2-carboxylic acid|2-Anthraquinonecarboxylic acid, 4,5-dihydroxy-|EN300-303248|DIHYDROXY-3-CARBOXYLANTHRAQUINONE, 1,8-|A827360|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|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-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 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.280 |
| Log Po/w (XLOGP3) : 2.230 |
| Log Po/w (WLOGP) : 1.570 |
| Log Po/w (MLOGP) : 0.290 |
| Log Po/w (SILICOS-IT) : 1.960 |
| Consensus Log Po/w : 1.470 |

