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.

Protokosin

PubChem CID: 160914

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

ℹ️ Click here to know more about the properties
Compound Synonyms Protokosin, 10091-70-0, 1-[3-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]-2,4,6-trihydroxy-5-[[2-hydroxy-4,6-dimethoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one, 1-Propanone, 1-(3-((2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl)methyl)-2,4,6-trihydroxy-5-((2-hydroxy-4,6-dimethoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl)methyl)phenyl)-2-methyl-, 1-(3-{[2,6-Dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl}-2,4,6-trihydroxy-5-{[2-hydroxy-4,6-dimethoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl}phenyl)-2-methylpropan-1-one, DTXSID30905837, 1-[3-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl]methyl]-2,4,6-trihydroxy-5-[[2-hydroxy-4,6-dimethoxy-3-methyl-5-(2-methyl-1-oxopropyl)-phenyl]methyl]phenyl]-2-methyl-1-propanone
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 200.0
Hydrogen Bond Donor Count 6.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC(CC2CCCC(CC3CCCCC3)C2)CC1
Np Classifier Class Oligomeric phloroglucinols (phlorotannins)
Deep Smiles COccC)cO)ccc6C=O)CC)C))))O))CccO)cCccO)cC)ccc6OC)))C=O)CC)C))))OC)))))))ccc6O))C=O)CC)C))))O
Heavy Atom Count 49.0
Classyfire Class Diarylheptanoids
Scaffold Graph Node Level C1CCC(CC2CCCC(CC3CCCCC3)C2)CC1
Classyfire Subclass Linear diarylheptanoids
Isotope Atom Count 0.0
Molecular Complexity 1130.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1-[3-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]-2,4,6-trihydroxy-5-[[2-hydroxy-4,6-dimethoxy-3-methyl-5-(2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Phenylpropanoids and polyketides
Xlogp 7.6
Gsk 4 400 Rule False
Molecular Formula C37H46O12
Scaffold Graph Node Bond Level c1ccc(Cc2cccc(Cc3ccccc3)c2)cc1
Prediction Swissadme 0.0
Inchi Key KZRUJLHMLWGQQL-UHFFFAOYSA-N
Silicos It Class Poorly soluble
Fcsp3 0.4324324324324324
Logs -3.956
Rotatable Bond Count 13.0
Logd 2.193
Synonyms protokosin
Esol Class Poorly soluble
Functional Groups cC(C)=O, cO, cOC
Compound Name Protokosin
Prediction Hob Swissadme 0.0
Exact Mass 682.299
Formal Charge 0.0
Monoisotopic Mass 682.299
Hydrogen Bond Acceptor Count 12.0
Molecular Weight 682.8
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 False
Esol -8.249767334693878
Inchi InChI=1S/C37H46O12/c1-14(2)26(38)23-32(44)20(12-19-29(41)17(7)35(47-9)24(34(19)46)27(39)15(3)4)31(43)21(33(23)45)13-22-30(42)18(8)36(48-10)25(37(22)49-11)28(40)16(5)6/h14-16,41-46H,12-13H2,1-11H3
Smiles CC1=C(C(=C(C(=C1OC)C(=O)C(C)C)O)CC2=C(C(=C(C(=C2O)C(=O)C(C)C)O)CC3=C(C(=C(C(=C3O)C)OC)C(=O)C(C)C)OC)O)O
Nring 3.0
Np Classifier Biosynthetic Pathway Polyketides
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Phloroglucinols

  • 1. Outgoing r'ship FOUND_IN to/from Agave Americana (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Brunfelsia Americana (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Cordia Americana (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Erythrina Americana (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Genipa Americana (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Hagenia Abyssinica (Plant) Rel Props:Reference:ISBN:9788172360481; ISBN:9788172361266; ISBN:9788172362300; ISBN:9788185042145
  • 7. Outgoing r'ship FOUND_IN to/from Mammea Africana (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Mammea Americana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Mammea Longifolia (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Mammea Siamensis (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Mammea Suriga (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Persea Americana (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Phytolacca Americana (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Ulmus Americana (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Waltheria Americana (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Ximenia Americana (Plant) Rel Props:Reference:
Back to Browse   Back to Home