Cyanidin chloride
PubChem CID: 68247
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| Compound Synonyms | Cyanidin chloride, 528-58-5, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxychromenylium chloride, Cyanidol chloride, Gastrotelos, Cyanidin (Chloride), Idb 1027, IdB-1027, 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride, EINECS 208-438-6, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride, 3,3',4',5,7-Pentahydroxyflavylium chloride, NSC 407291, UNII-2G4283G96U, 3,3'4',5,7-Pentahydroxyflavylium chloride, 3,3',4',5,7-Pentahydroxy-2-phenylbenzopyrylium chloride, MFCD00017582, 2G4283G96U, NSC-407291, 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol chloride, 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol, chloride, CHEMBL511367, Flavylium, 3,3'4',5,7-pentahydroxy-, chloride, Cyanidol, NSC407291, 3,3',4,5,7-Pentahydroxyflavylium chloride, Flavylium, 3,3',4',5,7-pentahydroxy-, chloride, CYANIDIN CHLORIDE (USP-RS), CYANIDIN CHLORIDE [USP-RS], 1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride (1:1), Cyanidin-Chloride, Cyanidin hydrochloride, SCHEMBL156277, CYANIDIN CHLORIDE [MI], Cyanidin (Chloride) (Standard), HY-N0499R, DTXSID80967263, BCP24007, HY-N0499, BDBM50462423, Cyanidin chloride, >=95% (HPLC), Cyanidin chloride, analytical standard, AKOS016010264, FC31216, 3,4',5,7-Pentahydroxyflavylium chloride, AC-34419, AS-71153, 1ST000592, DB-052195, CS-0009023, NS00080093, Flavylium,3',4',5,7-pentahydroxy-, chloride, 3,4',5,7-Pentahydroxy-2-phenylbenzopyrylium chloride, Q27254696, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxychromenyliumchloride, 1-Benzopyrylium,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride, Cyanidin chloride, European Pharmacopoeia (EP) Reference Standard, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1??-chromen-1-ylium chloride, Cyanidin chloride, United States Pharmacopeia (USP) Reference Standard, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1$l^{4}-chromen-1-ylium chloride, 208-438-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(C2CCC3CCCCC3C2)CC1 |
| Np Classifier Class | Anthocyanidins |
| Deep Smiles | OcccO)ccc6)[o+]ccc6)O))cccccc6)O))O.[Cl-] |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | C1CCC(C2CCC3CCCCC3O2)CC1 |
| Classyfire Subclass | Hydroxyflavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 364.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q04760, P27487, P37840 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol, chloride |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT1566, NPT1592, NPT920 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H11ClO6 |
| Scaffold Graph Node Bond Level | c1ccc(-c2ccc3ccccc3[o+]2)cc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | COAWNPJQKJEHPG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -3.446 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.802 |
| Synonyms | cyanidin chloride |
| Esol Class | Soluble |
| Functional Groups | [Cl-], cO, c[o+]c |
| Compound Name | Cyanidin chloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.024 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.024 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 322.69 |
| 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 |
| Esol | -2.816921818181818 |
| Inchi | InChI=1S/C15H10O6.ClH/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7, /h1-6H,(H4-,16,17,18,19,20), 1H |
| Smiles | C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)O.[Cl-] |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
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FOUND_INto/from Entada Rheedii (Plant) Rel Props:Reference:ISBN:9788172363178; ISBN:9788185042084 - 6. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Senna Auriculata (Plant) Rel Props:Reference:ISBN:9770972795006 - 8. Outgoing r'ship
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