This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3-(3,4,5-Trihydroxy-6-((3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl)Oxan-2-Yl)Oxychromen-4-One

PubChem CID: 12313332

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms MLS000876823, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one, SMR000440564, Kaempferol-3-rutinoside, Kaempferol 3-robinobioside, cid_12313332, 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3-(3,4,5-Trihydroxy-6-((3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl)Oxan-2-Yl)Oxychromen-4-One, Compound NP-022865, MEGxp0_000069, CHEMBL1419228, SCHEMBL10000318, ACon1_001454, CHEBI:139410, BDBM115128, HMS2269O10, HMS3345A17, SAA29756, AKOS001590396, BRD-A07615476-001-01-8, B0005-458105, B0005-464700, 2-(4-hydroxyphenyl)-3-[6-[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one, 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-3-[(3,4,5-TRIHYDROXY-6-{[(3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL)OXY]METHYL}OXAN-2-YL)OXY]CHROMEN-4-ONE, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromone
Topological Polar Surface Area 245.0
Hydrogen Bond Donor Count 9.0
Heavy Atom Count 42.0
Description Isolated from Medicago subspecies, Trigonella subspecies and other plant subspecies Kaempferol 3-robinobioside is found in herbs and spices and pulses.
Isotope Atom Count 0.0
Molecular Complexity 985.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P46063, P27695, Q9Y468, P10253, P06746, O75164, P03070, Q9UIF8, Q13951, Q9UNA4, P39748, Q9Y253, Q9UBT6, P07378, O94925, O75496, Q99700, Q14191, Q13526, Q4GZG4, Q9NR56, P04608
Iupac Name 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Prediction Hob 0.0
Class Flavonoids
Target Id NPT47, NPT49, NPT864, NPT60, NPT59
Xlogp -0.9
Superclass Phenylpropanoids and polyketides
Subclass Flavonoid glycosides
Molecular Formula C27H30O15
Prediction Swissadme 0.0
Inchi Key RTATXGUCZHCSNG-UHFFFAOYSA-N
Fcsp3 0.4444444444444444
Logs -3.952
Rotatable Bond Count 6.0
State Solid
Logd 1.052
Synonyms 3,4',5,7-Tetrahydroxyflavone 3-O-[a-L-rhamnopyranosyl-(1->6)-b-D-galactopyranoside], Biorobin, Kaempferol 3-[rhamnosyl-(1->6)-galactoside], Kaempferol 3-O-[a-L-rhamnopyranosyl-(1->6)-b-D-galactopyranoside], Kaempferol 3-O-[a-L-rhamnosyl-(1->6)-b-D-galactoside], Kaempferol 3-robinobioside, Kaempferol 3-O-beta-D-rutinoside, Kaempferol 3-rutinoside, Kaempferol-3-O-rutinoside, Kaempferol-3-rutinoside, Nicotiflorin, Nicotifloroside, Nictoflorin (incorr.)
Compound Name 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3-(3,4,5-Trihydroxy-6-((3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl)Oxan-2-Yl)Oxychromen-4-One
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 594.158
Formal Charge 0.0
Monoisotopic Mass 594.158
Hydrogen Bond Acceptor Count 15.0
Molecular Weight 594.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 10.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Esol -2.460641161904765
Inchi InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3
Smiles CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)O)O
Nring 5.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Flavonoid-3-O-glycosides

  • 1. Outgoing r'ship FOUND_IN to/from Acorus Gramineus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Acorus Tatarinowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Actinidia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Astragalus Complanatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Capparis Spinosa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Chelidonium Majus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Erigeron Breviscapus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Ficus Carica (Plant) Rel Props:Source_db:fooddb_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Illicium Verum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Laurus Nobilis (Plant) Rel Props:Source_db:fooddb_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Ocimum Basilicum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Prunus Armeniaca (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Prunus Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Pyrus Communis (Plant) Rel Props:Source_db:fooddb_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Ribes Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Rosa Rugosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
Back to Browse   Back to Home