Uroxanthin
PubChem CID: 258533
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| Compound Synonyms | Uroxanthin, 1h-indol-3-yl hexopyranoside, 2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol, Indol-3-yl-beta-D-galactopyranoside, Indoxyl-beta-D-glucoside, Indikan, Indoxyl-beta-D-galactopyranoside, Indican (glucoside), SMR000857133, Indican (plant indican), Indoxyl-.beta.-D-glucoside, Indol-3-yl-glucoside, beta-D-, NSC-87517, .beta.-D-Glucopyranoside, 1H-indol-3-yl, Indoxyl b-D-glucoside, Indoxyl-.beta.-D-glucose, beta-indol-3-yl-glucoside, Indol-3-yl-b-D-galactoside, MLS001332547, MLS001332548, CHEMBL1561942, SCHEMBL19146754, SCHEMBL19854408, DTXSID10862015, (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(1H-indol-3-yloxy)tetrahydropyran-3,4,5-triol, CHEBI:143543, HMS2234D13, HMS3370M06, NSC87517, AKOS024287260, NCGC00247043-01, NCGC00247043-02, LS-14305, Indole, 3-(.beta.-D-glucopyranosyloxy)-, 47B3D6C6-D718-45FC-92CF-0407A1783356 |
|---|---|
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q13315, P11473, Q9UNA4, O75496, P53350 |
| Iupac Name | 2-(hydroxymethyl)-6-(1H-indol-3-yloxy)oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Target Id | NPT524 |
| Xlogp | -0.1 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C14H17NO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XVARCVCWNFACQC-UHFFFAOYSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -2.172 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.612 |
| Compound Name | Uroxanthin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 295.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.106 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 295.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -1.7206470571428572 |
| Inchi | InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2 |
| Smiles | C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)CO)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | O-glycosyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Persicaria Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all