Malvidin Chloride
PubChem CID: 69512
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| Compound Synonyms | Malvidin chloride, 643-84-5, Syringidin, Primulidin, Enidin, Syringidin chloride, Malvinidin, Malvinidol chloride, Malvidol, Oenidin, Malvidin (chloride), 3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium chloride, GL5KGZ4D8U, EINECS 211-403-8, NSC 94526, MFCD00017585, NSC-94526, 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride, MALVIDIN CHLORIDE [MI], Flavylium, 3,4',5,7-tetrahydroxy-3',5'-dimethoxy-, chloride, 3,4',5,7-Tetrahydroxy-2',5'-dimethoxy-2-phenylbenzopyrylium chloride, 2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol, chloride, 3,5,7-Trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyryliumchloride, 3,5,7-Trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium chloride (1:1), 3,4',5,7-TETRAHYDROXY-3',5'-DIMETHOXY-2-PHENYLBENZOPYRYLIUM CHLORIDE, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium chloride, DTXSID30146622, MALVIDINCHLORIDE, BRN 1691742, UNII-GL5KGZ4D8U, 3,5,7,4'-tetrahydroxy-3',5'-dimethoxyflavylium, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium, Flavylium, 3,4',5,7-tetrahydroxy-3',5'-dimethoxy-, acid anion, Benzopyrylium, 3 5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, Benzopyrylium, 3 5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, acid anion, SCHEMBL308690, CHEMBL592005, DTXCID6069113, NSC94526, BDBM50276155, Malvidin chloride, analytical standard, AKOS030573527, FM44901, Malvidin chloride, >=95.0% (HPLC), 1ST40125, AS-78650, DB-054647, HY-122496, CS-0085838, NS00079918, 3,5,7-Tetrahydroxy-3',5'-dimethoxyflavylium chloride, WLN: T66 BOJ CR DQ CO1 EO1& DQ GQ IQ &G, Malvidol, Malvinidol chloride, Syringidin chloride, Oenidin, 2-(4-hydroxy-3,5-dimethoxy-phenyl)chromene-3,5,7-triol, Flavylium,4',5,7-tetrahydroxy-3',5'-dimethoxy-, chloride, 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride (9CI), 1-Benzopyrylium,3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride (1:1), 1-Benzopyrylium,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 100.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(C2CCC3CCCCC3C2)CC1 |
| Np Classifier Class | Anthocyanidins |
| Deep Smiles | COcccccc6O))OC))))c[o+]cccO)ccc6cc%10O))))O.[Cl-] |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | C1CCC(C2CCC3CCCCC3O2)CC1 |
| Classyfire Subclass | O-methylated flavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 406.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol, chloride |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H15ClO7 |
| Scaffold Graph Node Bond Level | c1ccc(-c2ccc3ccccc3[o+]2)cc1 |
| Inchi Key | KQIKOUUKQBTQBE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | malvidin chloride |
| Esol Class | Moderately soluble |
| Functional Groups | [Cl-], cO, cOC, c[o+]c |
| Compound Name | Malvidin Chloride |
| Exact Mass | 366.051 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.051 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 366.7 |
| Gi Absorption | True |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H14O7.ClH/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17, /h3-7H,1-2H3,(H3-,18,19,20,21), 1H |
| Smiles | COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-] |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Malvaviscus Arboreus (Plant) Rel Props:Reference:ISBN:9770972795006