| Phytochemical Name : Emodin |
| PCNDIDE0021 |
| Pubchem CID : 3220 |
| Molecular formula: C15H10O5 |
| Canonical SMILES : CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O |
Synonymes : emodin|518-82-1|Emodol|Frangula emodin|Schuttgelb|Rheum emodin|Archin|Frangulic acid|1,3,8-trihydroxy-6-methylanthracene-9,10-dione|3-Methyl-1,6,8-trihydroxyanthraquinone|Persian Berry Lake|6-Methyl-1,3,8-trihydroxyanthraquinone|C.I. Natural Yellow 14|1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone|1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione|9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl-|1,3,8-Trihydroxy-6-methylanthraquinone|4,5,7-Trihydroxy-2-methylanthraquinone|C.I. 75440|Alatinone|CCRIS 3528|NSC 408120|NSC 622947|rheum emodium|Rheum-emodin|Frangulinic acid|HSDB 7093|UNII-KA46RNI6HN|KA46RNI6HN|Anthraquinone, 1,3,8-trihydroxy-6-methyl-|EINECS 208-258-8|NSC408120|BRN 1888141|DTXSID5025231|CHEBI:42223|AI3-38286|Anthraquinone, 6-methyl-1,3,8-trihydroxy-|1,3,8-Trihydroxy-6-methylanthra-9,10-quinone|NSC-408120|NSC-622947|CHEMBL289277|DTXCID205231|NSC622947|1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione|EMODIN (USP-RS)|EMODIN [USP-RS]|6-Methyl-1,3,8-trihydroxy-9,10-anthracenedione|EMO|1,8-Trihydroxy-6-methylanthraquinone|Emodin, Rheum|Emodin, Frangula|CAS-518-82-1|SMR000326798|SR-01000075615|Emdoin|3bqc|persian b erry lake|Emodin,(S)|MFCD00001207|Spectrum_001954|1f0q|3ed0|SpecPlus_000332|EMODIN [HSDB]|EMODIN [INCI]|1,3,8-tri-hydroxy-6-methyl-anthra-quinone|Spectrum2_000895|Spectrum3_000742|Spectrum4_001757|Spectrum5_000614|EMODIN [MI]|Lopac-E-7881|D0U7OU|Emodin, analytical standard|NCIMech_000049|Lopac0_000552|BSPBio_002324|KBioGR_002234|KBioSS_002508|1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione|MLS000563068|MLS001066370|MLS004257392|MLS006011712|DivK1c_006428|SCHEMBL177689|SPBio_000710|LS-3|MEGxp0_000460|ACon1_001939|BDBM11318|KBio1_001372|KBio2_002500|KBio2_005068|KBio2_007636|KBio3_001544|Emodin - CAS 518-82-1|HMS2230K22|HMS3261P05|HMS3373B16|HMS3655H22|BCP18372|EX-A6778|TNP00318|9, 1,3,8-trihydroxy-6-methyl-|Tox21_202999|Tox21_303218|Tox21_500552|CCG-35263|LMPK13040008|s2295|STL581876|3-Methyl-1,8-trihydroxyanthraquinone|4,7-Trihydroxy-2-methylanthraquinone|AKOS003348641|AC-1004|CS-1412|DB07715|KS-5189|LP00552|SDCCGSBI-0050535.P004|Anthraquinone,3,8-trihydroxy-6-methyl-|SMP2_000211|3-Methyl-1,6,8-trihydroxy-antraquinone|NCGC00015420-01|NCGC00015420-02|NCGC00015420-03|NCGC00015420-04|NCGC00015420-05|NCGC00015420-06|NCGC00015420-07|NCGC00015420-08|NCGC00015420-09|NCGC00015420-22|NCGC00091540-01|NCGC00091540-02|NCGC00091540-03|NCGC00091540-04|NCGC00091540-05|NCGC00257090-01|NCGC00260544-01|NCGC00261237-01|1,3,8-Trihydroxy-6-methyl-anthraquinone|HY-14393|NCI60_003906|E0500|EU-0100552|FT-0606539|FT-0667846|SW219906-1|1,8-Trihydroxy-6-methyl-9,10-anthraquinone|Emodin, from Frangula bark, >=90% (HPLC)|E 7881|EN300-179559|K00056|Emodin; 6-Methyl-1,3,8-trihydroxyanthraquinone|1,3, 8-Trihydroxy-6-methyl-9,10-anthraquinone|1,3,8-Trihydroxy-6-methylanthra-9,10-quinone #|A828825|Q-100581|Q4348178|SR-01000075615-1|SR-01000075615-6|BRD-K58685305-001-03-0|1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione, 9CI|9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl- (9CI)|Emodin, United States Pharmacopeia (USP) Reference Standard|1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione;3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.800 |
| Log Po/w (XLOGP3) : 2.720 |
| Log Po/w (WLOGP) : 1.890 |
| Log Po/w (MLOGP) : 0.360 |
| Log Po/w (SILICOS-IT) : 2.550 |
| Consensus Log Po/w : 1.870 |

