| Phytochemical Name : Iridin |
| PCNDIDI0026 |
| Pubchem CID : 5281777 |
| Molecular formula: C24H26O13 |
| Canonical SMILES : COC1=CC(=CC(=C1OC)O)C2=COC3=CC(=C(C(=C3C2=O)O)OC)OC4C(C(C(C(O4)CO)O)O)O |
Synonymes : Iridin|491-74-7|UNII-6NTS007OHQ|6NTS007OHQ|CHEBI:5963|Spectrum_000619|SpecPlus_000143|Spectrum2_000198|Spectrum3_000192|DTXSID80197689|irigenin 7-O-beta-D-glucopyranoside|5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one|Irigenin 7-O-glucoside|Lridin|4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-|5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside|5-HYDROXY-3-(3-HYDROXY-4,5-DIMETHOXYPHENYL)-6-METHOXY-7-((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)OXYCHROMEN-4-ONE|Irisin|C24H26O13|Spectrum4_001510|Spectrum5_000279|BSPBio_001743|KBioGR_002179|KBioSS_001099|SPECTRUM200793|DivK1c_006239|SCHEMBL243567|SPBio_000155|CHEMBL487014|KBio1_001183|KBio2_001099|KBio2_003667|KBio2_006235|KBio3_001243|DTXCID90120180|HY-N3011|CCG-38404|MFCD28166495|SDCCGMLS-0066463.P001|NCGC00179041-01|AC-34954|MS-29677|CS-0022925|Q419014|SR-05000002736|SR-05000002736-1|BRD-K22550622-001-02-7|BRD-K22550622-001-03-5|5-hydroxy-3-(3-hydroxy-4,5-dimethoxy-phenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one|5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one|5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.210 |
| Log Po/w (XLOGP3) : 0.780 |
| Log Po/w (WLOGP) : 0.080 |
| Log Po/w (MLOGP) : -2.430 |
| Log Po/w (SILICOS-IT) : 0.580 |
| Consensus Log Po/w : 0.040 |

