2-(Hydroxymethyl)-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol
PubChem CID: 9945189
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| Compound Synonyms | Eugenol glucoside, eugenol beta-d-glucopyranoside, SCHEMBL17615401, DTXSID00864846, CHEBI:175167, 2-Methoxy-4-(prop-2-en-1-yl)phenyl hexopyranoside, 2-(hydroxymethyl)-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol, 2-(hydroxymethyl)-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 109.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Description | Constituent of leaves of white flowered perilla Perilla frutescens variety forma viridis and the leaves of Dalmatian sage (Salvia officinalis). Flavouring agent. Citrusin C is found in lemon, herbs and spices, and common sage. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 377.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-6-(2-methoxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol |
| Nih Violation | False |
| Class | Organooxygen compounds |
| Xlogp | 0.0 |
| Superclass | Organic oxygen compounds |
| Is Pains | False |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C16H22O7 |
| Inchi Key | VADSVXSGIFBZLI-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Synonyms | Beta-d-glucopyranoside, 2-methoxy-4-(2-propenyl)phenyl, Citrusin C, Eugenol beta-D-glucopyranoside, Eugenol glucoside, beta-D-Glucopyranoside, 2-methoxy-4-(2-propenyl)phenyl |
| Compound Name | 2-(Hydroxymethyl)-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol |
| Kingdom | Organic compounds |
| Exact Mass | 326.137 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 326.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 326.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Inchi | InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3 |
| Smiles | COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)CO)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Phenolic glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all