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Delphinidin

PubChem CID: 68245

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Compound Synonyms Delphinidin chloride, 528-53-0, Delphinidin, Delphinidine, Delphinidol, Ephdine, PARAFFIN, Delfinidol chloride, CCRIS 2518, IdB 1056, UNII-EM6MD4AEHE, EINECS 208-437-0, 1-Benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride, 3,3',4',5,5',7-Hexahydroxyflavylium chloride, 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol, chloride, Delphinidin (chloride), 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium chloride, EM6MD4AEHE, DELPHINIDIN [MI], 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol chloride, MFCD00016663, 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium chloride, CHEBI:38701, DTXSID701019982, Flavylium 3,3',4',5,5',7-hexahydroxy-, chloride, 3,3',4',5,5',7-Hexahydroxy-2-phenylbenzopyrylium chloride, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium chloride, 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium chloride (1:1), Delphinidin Chloride (~80% purity), UNII-031A4BN94T, Delphinidine, Delphinidol, Ephdine, IdB 1056, Delfinidol chloride, Delphinidin, CHEMBL590878, Delphinidin chloride, analytical standard, BRN 1691007, 5-17-08-00514 (Beilstein Handbook Reference), 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium, 1-Benzopyryium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyryliumchlorid, Chlorure de 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)benzopyrylium, liquid paraffin (drug), SCHEMBL22369, IdB-1056, HY-N2409R, Delphinidin (chloride) (Standard), DTXCID901477839, GLXC-10984, BCP15819, HY-N2409, AKOS027326494, FD44902, 1ST40109, AC-35150, AS-78369, DA-52424, DA-56587, FP180833, CS-0022610, E88811, Q367258, 2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3,5,7-triol, Flavylium 3,3',4',5,5',7-hexahydroxy-, chloride (8CI), 2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3,5,7-triol, chloride, 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium chloride, 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenyliumchloride
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 122.0
Hydrogen Bond Donor Count 6.0
Pfizer 3 75 Rule True
Scaffold Graph Level C1CCC(C2CCC3CCCCC3C2)CC1
Np Classifier Class Anthocyanidins
Deep Smiles OcccO)ccc6)[o+]ccc6)O))cccO)ccc6)O))O.[Cl-]
Heavy Atom Count 23.0
Classyfire Class Flavonoids
Scaffold Graph Node Level C1CCC(C2CCC3CCCCC3O2)CC1
Classyfire Subclass Hydroxyflavonoids
Isotope Atom Count 0.0
Molecular Complexity 380.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q04760, P35968, P00533, n.a., Q92793, P0DTD1, P37840
Iupac Name 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol, chloride
Prediction Hob 0.0
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT1566, NPT1478, NPT285, NPT920
Gsk 4 400 Rule True
Molecular Formula C15H11ClO7
Scaffold Graph Node Bond Level c1ccc(-c2ccc3ccccc3[o+]2)cc1
Prediction Swissadme 0.0
Inchi Key FFNDMZIBVDSQFI-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.0
Logs -3.375
Rotatable Bond Count 1.0
Logd 1.617
Synonyms delphinidin, delphinidin chloride, delphinidine, delphinidol
Esol Class Soluble
Functional Groups [Cl-], cO, c[o+]c
Compound Name Delphinidin
Prediction Hob Swissadme 0.0
Exact Mass 338.019
Formal Charge 0.0
Monoisotopic Mass 338.019
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 338.69
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 -2.6659164086956526
Inchi InChI=1S/C15H10O7.ClH/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), 1H
Smiles C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-]
Nring 3.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Flavonoids

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  • 3. Outgoing r'ship FOUND_IN to/from Abutilon Grandiflorum (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Abutilon Grandifolium (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Abutilon Graveolens (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Abutilon Hirtum (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Abutilon Indicum (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Abutilon Pakistanicum (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Abutilon Pannosum (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Abutilon Persicum (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Abutilon Ramosum (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Abutilon Theophrasti (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Acacia Dealbata (Plant) Rel Props:Reference:ISBN:9788172362089
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  • 16. Outgoing r'ship FOUND_IN to/from Arbutus Unedo (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17177565
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  • 18. Outgoing r'ship FOUND_IN to/from Caesalpinia Pulcherrima (Plant) Rel Props:Reference:ISBN:9788185042114
  • 19. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17341825
  • 20. Outgoing r'ship FOUND_IN to/from Catharanthus Roseus (Plant) Rel Props:Reference:https://doi.org/10.1093/database/bav075
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  • 22. Outgoing r'ship FOUND_IN to/from Cichorium Endivia (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16076140
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  • 26. Outgoing r'ship FOUND_IN to/from Delphinium Elatum (Plant) Rel Props:Reference:ISBN:9788172362300
  • 27. Outgoing r'ship FOUND_IN to/from Delphinium Vestitum (Plant) Rel Props:Reference:ISBN:9780387706375
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  • 48. Outgoing r'ship FOUND_IN to/from Salix Babylonica (Plant) Rel Props:Reference:ISBN:9780387706375
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  • 51. Outgoing r'ship FOUND_IN to/from Solanum Melongena (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16302764
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