| Phytochemical Name : Apiin |
| PCNDIDA0155 |
| Pubchem CID : 5280746 |
| Molecular formula: C26H28O14 |
| Canonical SMILES : C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O |
Synonymes : apiin|26544-34-3|Apigenin-7-apioglucoside|Apioside|UNII-6QU3EZE37U|6QU3EZE37U|CHEBI:15932|EINECS 247-780-0|7-((2-O-beta-D-Apiofuranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyranone|Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]|7-O-(beta-D-Apiofuranosyl-1,2-beta-D-glucosyl)-5,7,4'-trihydroxyflavone|5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 3-C-(hydroxymethyl)-beta-D-glycero-tetrofuranosyl-(1->2)-beta-D-glucopyranoside|7-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one|5,7,4'-trihydroxyflavone 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]|5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-beta-D-glucopyranoside|7-[(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one|apigenin 7-O-(beta-D-apiosyl-(1->2)-beta-D-glucoside)|5,7,4'-trihydroxyflavone 7-O-(beta-D-apiosyl-(1->2)-beta-D-glucoside)|5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)-beta-D-glucopyranoside|7-((2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one|7-((2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|7-[(2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|Spectrum_000204|SpecPlus_000939|Apiin (11)|Spectrum2_001800|Spectrum3_001787|Spectrum4_001817|Spectrum5_000553|APIIN [MI]|BSPBio_003313|KBioGR_002458|KBioSS_000684|SPECTRUM350025|7-O-(beta-D-apiofuranosyl-(1-2)-beta-D-glucosyl)-apigenin|MLS000575008|DivK1c_007035|SCHEMBL316910|SPBio_001759|CHEMBL1535342|KBio1_001979|KBio2_000684|KBio2_003252|KBio2_005820|KBio3_002815|DTXSID90949393|7-O-(beta-D-apiofuranosyl-(1-2)-beta-D-glucosyl)-5,7,4'-trihydroxyflavone|BDBM153268|HMS2209P05|4H-1-Benzopyran-4-one, 7-[(2-O-D-apio-.beta.-D-furanosyl-.beta.-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-|HY-N0577|CCG-39950|AKOS030632988|SDCCGMLS-0066949.P001|NCGC00178147-01|AS-74876|SMR000156232|CS-0009113|C04858|SR-01000712126|Q2858300|SR-01000712126-2|BRD-K52379519-001-02-0|4H-1-Benzopyran-4-one, 7-[(2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-|7-((2-O-.BETA.-D-APIOFURANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-5- HYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRANONE|7-((2-O-D-APIO-.BETA.-D-FURANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)- 5-HYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE|7-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.110 |
| Log Po/w (XLOGP3) : -0.360 |
| Log Po/w (WLOGP) : -1.490 |
| Log Po/w (MLOGP) : -3.160 |
| Log Po/w (SILICOS-IT) : -0.720 |
| Consensus Log Po/w : -0.720 |

