| Phytochemical Name : Troxerutin |
| PCNDIDT0117 |
| Pubchem CID : 5486699 |
| Molecular formula: C33H42O19 |
| Canonical SMILES : CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O |
Synonymes : Troxerutin|7085-55-4|Posorutin|Troxerutine|Vitamin P4|Venoruton P4|Trihydroxyethylrutin|Vastribil|Veinamitol|Trioxyethylrutin|3',4',7-Tris(hydroxyethyl)rutin|Factor P-zyma|Rufen-P4|Tris(hydroxyethyl)rutin|Troxerutina|Troxerutinum|Veniten|Ruven|Tris(hydroxyethyl)rutoside|Pherarutin|Troxerutin (INN)|Z 6000|Trihydroxyethylrutoside|Veno SL|UNII-7Y4N11PXO8|Troksevazin|Troxarutin|Troxevazin|Helveton|Venaroid|Flebil|7Y4N11PXO8|DTXSID4045929|Pur-Rutin|Veinamitol Pulver|Troxarutin-ratiopharm|NSC-758937|TROXERUTIN [INN]|Troxerutine [INN-French]|Troxerutinum [INN-Latin]|Troxerutina [INN-Spanish]|Z-6000|Troxerutin [INN:BAN:DCF]|2-(3,4-bis(2-hydroxyethoxy)phenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one|CCRIS 1798|Trihydroxyethylrutoside [French]|EINECS 230-389-4|3,5-Dihydroxy-3',4',7-tris(2-hydroxyethoxy)flavone 3-rutinoside|BRN 4778232|4H-1-Benzopyran-4-one, 2-[3,4-bis(2-hydroxyethoxy)phenyl]-3-[[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-5-hydroxy-7-(2-hydroxyethoxy)-|7,3',4'-Tris(O-(2-hydroxyethyl)rutin|Troxerutin [BAN:DCF:INN]|Venoruton gel|TriHER|Troxerutin,(S)|C33-H42-O19|NCGC00095147-01|2-(3,4-Bis(2-hydroxyethoxy)phenyl)-3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-(2-hydroxy ethoxy)-4H-1-benzopyran-4-one|2-(3,4-bis(2-hydroxyethoxy)phenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one|4H-1-BENZOPYRAN-4-ONE, 2-(3,4-BIS(2-HYDROXYETHOXY)PHENYL)-3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-5-HYDROXY-7-(2-HYDROXYETHOXY)-|Troxerutin (85%)|TROXERUTIN [MI]|TROXERUTIN [INCI]|TROXERUTIN [MART.]|TROXERUTIN [WHO-DD]|SCHEMBL142110|Tris-O-(2-hydroxyethyl)rutin|CHEMBL3182320|DTXCID2025929|Tris-O-(b-hydroxyethyl)rutoside|UNII-808O347B5Y|TROXERUTIN [EP MONOGRAPH]|4H-1-benzopirano-4-ona, 2-[3,4-bis (2-hidroxietoxi)] fenil-3-[[6-O-(6-desoxi-alfa-L-mannopiranosil)-beta-D-glucopiranosil]] oxi-5-hidroxi-7-(2-hidroxietoxi)-|Flavone, 3,5-dihydroxy-3',4',7-tris(2-hydroxyethoxy)-, 3-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside)|Flavone, 3,5-dihydroxy-3',4',7-tris(2-hydroxyethoxy)-, 3-[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranoside]|HY-N0139|Tox21_111450|MFCD00893813|s2369|AKOS016339659|SUCCINIMIDYLN-METHYLANTHRANILATE|Trihydroxyethylrutin, >=80% (HPLC)|808O347B5Y|CCG-270428|CS-8204|CS-O-02517|DB13124|KS-1394|NSC 758937|2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one|3',4',7-Tri-O-(b-hydroxyethyl)rutoside|CAS-7085-55-4|3,4,7-TRIS-O-(2-HYDROXYETHYL)RUTIN|D07180|A837010|BRD-K73529671-001-04-5|O-(.BETA.-HYDROXYETHYL)RUTOSIDE, (3',4',7)-TRI-|Troxerutin, European Pharmacopoeia (EP) Reference Standard|2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one|2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one|2-[3,4-bis(2-hydroxyethyloxy)phenyl]-7-(2-hydroxyethyloxy)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one|3-[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranoside]3,5-dihydroxy-3',4',7-tris(2-hydroxyethoxy)-Flavone|3-[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-delta-glucopyranoside]3,5-dihydroxy-3',4',7-tris(2-hydroxyethoxy)-Flavone|4H-1-Benzopyran-4-one,2-[3,4-bis(2-hydroxyethoxy)phenyl]-3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5-hydroxy-7-(2-hydroxyethoxy)-|55965-63-4 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.220 |
| Log Po/w (XLOGP3) : -1.410 |
| Log Po/w (WLOGP) : -2.690 |
| Log Po/w (MLOGP) : -4.910 |
| Log Po/w (SILICOS-IT) : -0.980 |
| Consensus Log Po/w : -1.360 |

