1-O-Indol-3-ylacetyl-beta-D-glucose
PubChem CID: 440255
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Iaa-glucose, 19817-95-9, 1-O-Indol-3-ylacetyl-beta-D-glucose, 1-O-Indol-3-ylacetylglucose, Indole-3-acetyl beta-D-Glucopyranose, beta-D-Glucopyranose, 1-(1H-indole-3-acetate), 1-O-(indol-3-ylacetyl)-beta-D-glucose, Indole-3-acetyl, A-D-Glucopyranose, Indole-3-acetyl-beta-1-D-glucoside, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1H-indol-3-yl)acetate, indole-3-acetic acid beta-D-glucoside, 1-O-(indol-3-yl)acetyl-beta-D-glucose, 1-O-(1H-indol-3-ylacetyl)-beta-D-glucopyranose, Indole-3-acetyl b-D-Glucopyranose, 1-(1H-Indole-3-acetate) ss-D-Glucopyranose, 1-O-(Indol-3'-ylacetyl) -ss-D-glucopyranose, Indole-3-acetic Acid ss-D-Glucopyranosyl Ester, Indole-3-acetic Acid ss-Glucoside, , 1-(1H-Indole-3-acetate) beta-D-Glucopyranose, C04197, CHEBI:17990, DTXSID50173536, Indole-3-acetic acid ?-glucoside, Indole-3-acetyl-beta-1-D-glucose, Indole-3-acetic Acid beta-Glucoside, HY-N13014, AKOS030254713, Indole-3-acetyl beta -D-Glucopyranose, 4-O-(Indole-3-acetyl)-D-glucopyranose, MI171854, 1-O-(indole-3-acetyl)-beta-1-D-glucose, CS-1100734, G91103, Q27102748, (2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl 2-(1H-indol-3-yl)acetate |
|---|---|
| Topological Polar Surface Area | 132.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | HHDMMUWDSFASNB-JZYAIQKZSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | (Indole-3-acetyl)-glucan, 6-Q-(indole-3-acetyl)-D-glucopyranose, beta-(1-4)-Cellulosic glucan(7 to 50 glucose units/IAA) |
| Heavy Atom Count | 24.0 |
| Compound Name | 1-O-Indol-3-ylacetyl-beta-D-glucose |
| Description | 4-o-(indole-3-acetyl)-d-glucopyranose, also known as indole-3-acetyl-beta-1-D-glucose or B-D-glucopyranose, 1-(1h-indole-3-acetic acid), belongs to indole-3-acetic acid derivatives class of compounds. Those are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. 4-o-(indole-3-acetyl)-d-glucopyranose is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4-o-(indole-3-acetyl)-d-glucopyranose can be found in corn, which makes 4-o-(indole-3-acetyl)-d-glucopyranose a potential biomarker for the consumption of this food product. |
| Exact Mass | 337.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 337.116 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 337.32 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1H-indol-3-yl)acetate |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C16H19NO7/c18-7-11-13(20)14(21)15(22)16(23-11)24-12(19)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-18,20-22H,5,7H2/t11-,13-,14+,15-,16+/m1/s1 |
| Smiles | C1=CC=C2C(=C1)C(=CN2)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| Xlogp | -0.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H19NO7 |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all