| Phytochemical Name : Purpurin |
| PCNDIDP0221 |
| Pubchem CID : 6683 |
| Molecular formula: C14H8O5 |
| Canonical SMILES : C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O |
Synonymes : PURPURIN|81-54-9|Verantin|1,2,4-Trihydroxyanthraquinone|Hydroxylizaric acid|Purpurine|1,2,4-trihydroxyanthracene-9,10-dione|Smoke Brown G|1,2,4-Trihydroxy-9,10-anthracenedione|1,2,4-Trihydroxy-9,10-anthraquinone|1,2,4-Trihydroxyanthrachinon|C.I. 58205|Anthraquinone, 1,2,4-trihydroxy-|9,10-Anthracenedione, 1,2,4-trihydroxy-|C.I. 75410|1,2,4-Trihydroxyanthra-9,10-quinone|CCRIS 3527|CHEBI:8645|Alizarin purpurin|C.I. Natural Red 16|C.I. 1037|UNII-L1GT81LS6N|EINECS 201-359-8|L1GT81LS6N|NSC 10447|BRN 1887127|DTXSID4021214|C.I. Natural Red 8|PURPURIN (DYE)|NSC-10447|1,2,4-Trihydroxyanthrachinon [Czech]|MLS002473304|DTXCID401214|1,2,4-Trihydroxy-Anthraquinone|4-08-00-03568 (Beilstein Handbook Reference)|NSC10447|SMR001306802|1,2,4-trihydroxy-9,10-dihydroanthracene-9,10-dione|Madder purple|Oxylizarinic acid|4-Hydroxyalizarin|9TF|MFCD00001203|Purpurin (85per cent)|PURPURIN [MI]|Spectrum2_000037|Spectrum3_001947|1,4-Trihydroxyanthrachinon|D0XJ7I|Epitope ID:116185|NCIMech_000036|1,4-Trihydroxyanthraquinone|cid_6683|9, 1,2,4-trihydroxy-|SCHEMBL33871|BSPBio_003547|1,2,4-trihydroxyanthraquinon|hsp90_173|MLS002207287|SPECTRUM1505300|Purpurin, Dye content 90 %|SPBio_000133|Anthraquinone,2,4-trihydroxy-|CHEMBL294264|BDBM67454|KBio3_002835|HMS2232F04|HMS3374D11|HY-N0571|Tox21_301526|1,4-Trihydroxy-9,10-anthraquinone|CCG-35463|s4963|STK396669|AKOS001482720|1,2,4-Trihydroxy-9,10-anthrachinon|4,9,10-trihydroxy-1,2-anthraquinone|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|LS-20715|NCI60_000107|1,2,4-Trihydroxyanthra-9,10-quinone #|1,2,4-tris(oxidanyl)anthracene-9,10-dione|CS-0009108|EU-0000318|FT-0699020|P0605|Purpurin, for spectrophotometric det. (of B, Pb)|Q116472|SR-05000002508|SR-05000002508-1 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.820 |
| Log Po/w (XLOGP3) : 3.830 |
| Log Po/w (WLOGP) : 1.580 |
| Log Po/w (MLOGP) : 0.110 |
| Log Po/w (SILICOS-IT) : 2.050 |
| Consensus Log Po/w : 1.880 |

