Muscadinin
PubChem CID: 75184857
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Muscadinin, Petunidin 3,5-di-O-beta-D-glucoside |
|---|---|
| Topological Polar Surface Area | 270.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Heavy Atom Count | 45.0 |
| Description | Petunin is an anthocyanin found in alcoholic beverages. Petunin is isolated from muscat grapes (Vitis vinifera), muscadine grapes (Vitis rotundifolia) and other plants. Anthocyanins are organic compounds containing a flavylium A ion or 2-phenylchromenylium based skeleton bound to a sugar. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 947.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P21964, P22309 |
| Iupac Name | 2-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Nih Violation | True |
| Class | Flavonoids |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | True |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C28H33O17+ |
| Inchi Key | KLRABYJGMPNMSA-UHFFFAOYSA-O |
| Rotatable Bond Count | 8.0 |
| State | Solid |
| Synonyms | Muscadinin, Petunidin 3,5-di-O-beta-D-glucoside, Petunin |
| Compound Name | Muscadinin |
| Kingdom | Organic compounds |
| Exact Mass | 641.172 |
| Formal Charge | 1.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 641.172 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 641.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C28H32O17/c1-40-15-3-9(2-12(32)19(15)33)26-16(43-28-25(39)23(37)21(35)18(8-30)45-28)6-11-13(41-26)4-10(31)5-14(11)42-27-24(38)22(36)20(34)17(7-29)44-27/h2-6,17-18,20-25,27-30,34-39H,7-8H2,1H3,(H2-,31,32,33)/p+1 |
| Smiles | COC1=CC(=CC(=C1O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Anthocyanidin-5-O-glycosides |
- 1. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all