BLACKCURRANT EXTRACT
General Information
| Chemical Names: | I. CYANIDIN 3-RUTINOSIDE; II. DELPHINIDIN 3-RUTINOSIDE; III. CYANIDIN 3-GLYUCOSIDE; IV. DELPHINIDIN 3-GLUCOSIDE |
| CAS number: | 13270-61-6 (DELPHINIDIN) |
| INS: | 163(iii) |
| Functional Class: |
Food Additives COLOUR |
From apps.who.int
Evaluations
| Evaluation year: | 1986 |
| Meeting: | 30 |
| Specs Code: | N,T |
| Specification: | COMPENDIUM ADDENDUM 10/FNP 52 Add.10/34 (METALS LIMITS) (2002); FAO JECFA Monographs 1 vol.1/155 |
From apps.who.int
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 128853 |
| IUPAC Name | 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol |
| InChI | InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1 |
| InChI Key | JKHRCGUTYDNCLE-UHFFFAOYSA-O |
| Canonical SMILES | C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O |
| Molecular Formula | C15H11O7+ |
| Wikipedia | Delphinidin |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 303.246 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Complexity | 380.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B w O A A A A A A A A A A A A A A A A A A A A A A A A A A 0 Y I A A A A A A A A C R 9 A A A G g A A C A A A D A S A m A A w B s A A B k C I A q B S A A I C C A A k I A A A i A F G i M g N J z a G N R q C e W O l 4 B U L u Y f K 7 P z O I A A B C A A I Q A B A A A I Q A B C A A A A A A A A A A A = = |
| Topological Polar Surface Area | 122.0 |
| Monoisotopic Mass | 303.05 |
| Exact Mass | 303.05 |
| Compound Is Canonicalized | True |
| Formal Charge | 1 |
| Heavy Atom Count | 22 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Flavonoids |
| Subclass | Hydroxyflavonoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 7-hydroxyflavonoids |
| Alternative Parents |
|
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Anthocyanidin - 1-benzopyran - Benzopyran - Pyrogallol derivative - Benzenetriol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Polyol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 7-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-7 position of the flavonoid skeleton. |
From ClassyFire