| Phytochemical Name : Embelin |
| PCNDIDE0019 |
| Pubchem CID : 3218 |
| Molecular formula: C17H26O4 |
| Canonical SMILES : CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O |
Synonymes : EMBELIN|550-24-3|Embelic acid|2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione|Emberine|2,5-Dihydroxy-3-undecyl-1,4-benzoquinone|2,5-Dihydroxy-3-undecyl-p-benzoquinone|2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione|NSC 91874|CHEBI:4778|NSC91874|EINECS 208-979-8|UNII-SHC6U8F5ER|SHC6U8F5ER|BRN 1885786|p-Benzoquinone, 2,5-dihydroxy-3-undecyl-|NSC-91874|2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl-|4-08-00-02769 (Beilstein Handbook Reference)|SR-01000597536|Embeliaquinone|MFCD00016369|Spectrum_001513|Tocris-2156|SpecPlus_000501|EMBELIN [MI]|Spectrum3_001931|Spectrum4_001760|Spectrum5_000620|D05HSW|BSPBio_003531|KBioGR_002240|KBioSS_001993|MLS000563189|BIDD:ER0529|DivK1c_006597|SCHEMBL148744|SPECTRUM1504074|CHEMBL221137|GTPL11209|KBio1_001541|KBio2_001993|KBio2_004561|KBio2_007129|KBio3_002783|DTXSID80203537|HMS1922B07|HMS2271A03|HMS3268N13|HMS3413I11|HMS3652J16|HMS3677I11|BCP31134|TNP00137|BDBM50078850|CCG-39906|Embelin, >=98% (HPLC), powder|HSCI1_000123|AKOS016010144|CS-1879|p-Benzoquinone,5-dihydroxy-3-undecyl-|SDCCGMLS-0066817.P001|2,4-dione, 2,5-dihydroxy-3-undecyl-|NCGC00017248-01|NCGC00017248-02|NCGC00017248-03|NCGC00017248-04|NCGC00017248-05|NCGC00017248-06|NCGC00017248-07|NCGC00017248-08|NCGC00017248-10|NCGC00025359-01|NCGC00025359-02|NCGC00025359-03|NCGC00025359-04|NCGC00025359-05|AC-34763|AS-55903|BP-25395|HY-17473|LS-40347|NCI60_042031|SMR000470851|2,5-Dihydroxy-3-undecyl-[1,4]benzoquinone|FT-0712499|S7025|SW219508-1|A830443|SR-01000597536-1|SR-01000597536-3|Q27068169|Embelic acid;2,5-Dihydroxy-3-undecyl-1,4-benzoquinone|Embelic acid; Emberine; NSC 91874; NSC91874; NSC 91874|NCGC00017248-12!2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.280 |
| Log Po/w (XLOGP3) : 5.420 |
| Log Po/w (WLOGP) : 4.310 |
| Log Po/w (MLOGP) : 1.210 |
| Log Po/w (SILICOS-IT) : 4.150 |
| Consensus Log Po/w : 3.680 |

