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-Dimethoxy-8-[(z)-3-methylbut-1,3-dienyl]-coumarin

PubChem CID: 10612228

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

ℹ️ Click here to know more about the properties
Compound Synonyms CHEMBL3426666, 5,7-dimethoxy-8-[(z)-3-methylbut-1,3-dienyl]-coumarin
Topological Polar Surface Area 44.8
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 438.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 5,7-dimethoxy-8-[(1Z)-3-methylbuta-1,3-dienyl]chromen-2-one
Prediction Hob 1.0
Xlogp 3.9
Molecular Formula C16H16O4
Prediction Swissadme 0.0
Inchi Key XUEBXQXWALAJLA-WAYWQWQTSA-N
Fcsp3 0.1875
Logs -4.524
Rotatable Bond Count 4.0
Logd 3.133
Compound Name 5,7-Dimethoxy-8-[(z)-3-methylbut-1,3-dienyl]-coumarin
Prediction Hob Swissadme 0.0
Exact Mass 272.105
Formal Charge 0.0
Monoisotopic Mass 272.105
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 272.29
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -3.0202599999999995
Inchi InChI=1S/C16H16O4/c1-10(2)5-6-11-13(18-3)9-14(19-4)12-7-8-15(17)20-16(11)12/h5-9H,1H2,2-4H3/b6-5-
Smiles CC(=C)/C=C\C1=C(C=C(C2=C1OC(=O)C=C2)OC)OC
Nring 2.0
Defined Bond Stereocenter Count 1.0

  • 1. Outgoing r'ship FOUND_IN to/from Andrographis Alata (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Boronia Alata (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Canscora Alata (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Cassia Alata (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Crotalaria Alata (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Dioscorea Alata (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Eucalyptus Alata (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Laggera Alata (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Leea Alata (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Murraya Alata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Murraya Crenulata (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Murraya Elongata (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Murraya Euchrestifolia (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Murraya Exotica (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Murraya Koenigii (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Murraya Kwangsiensis (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Murraya Microphylla (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Murraya Paniculata (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Murraya Siamensis (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Naregamia Alata (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Naringi Alata (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Onoseris Alata (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Pterygota Alata (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Senna Alata (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Swertia Alata (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Synotis Alata (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Terminalia Alata (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Thunbergia Alata (Plant) Rel Props:Reference:
Back to Browse   Back to Home