1-o-p-Coumaroyl-beta-d-glucose
PubChem CID: 14158116
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| Compound Synonyms | 1-o-p-coumaroyl-beta-d-glucose, Coumaroyl Hexoside (isomer of 691, 692), beta-D-Glucopyranose, 1-(3-(4-hydroxyphenyl)-2-propenoate), SCHEMBL9942496, CHEBI:168167, DTXSID901341858, [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
|---|---|
| Topological Polar Surface Area | 137.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 23.0 |
| Description | Isolated from many plants, e.g. Solanum and Fragaria subspecies 1-O-p-Coumaroyl-beta-D-glucose is found in many foods, some of which are white cabbage, redcurrant, italian sweet red pepper, and potato. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| Prediction Hob | 0.0 |
| Class | Cinnamic acids and derivatives |
| Xlogp | 0.1 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Hydroxycinnamic acids and derivatives |
| Molecular Formula | C15H18O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSNCQKUYZOSARM-ZZXKWVIFSA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | 1-O-p-Coumaroylglucose, 1-O-p-Hydroxycinnamoylglucose, beta-D-Glucopyranose, 1-(3-(4-hydroxyphenyl)-2-propenoate), Glucose 1-[3-(4-hydroxyphenyl)-2-propenoate], 1-O-p-Coumaroyl-b-D-glucose, 1-O-p-Coumaroyl-β-D-glucose, 3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
| Compound Name | 1-o-p-Coumaroyl-beta-d-glucose |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 326.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Esol | -1.3670096782608698 |
| Inchi | InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+ |
| Smiles | C1=CC(=CC=C1/C=C/C(=O)OC2C(C(C(C(O2)CO)O)O)O)O |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Hydroxycinnamic acid glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Schoenoprasum (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Malus Pumila (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Ribes Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all