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.

Curcumanolides A

PubChem CID: 10014272

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

ℹ️ Click here to know more about the properties
Compound Synonyms Curcumanolides A, CHEMBL2332433, DTXSID701123177, (5R,6S,9S)-6-Methyl-9-(1-methylethenyl)-3-(1-methylethylidene)-1-oxaspiro[4.4]nonan-2-one
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CC2(CCCC2)CC1C
Deep Smiles CC=CC[C@@]OC5=O)))[C@@H]C)CC[C@H]5C=C)C)))))))))C
Heavy Atom Count 17.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level CC1CC2(CCCC2)OC1O
Classyfire Subclass Terpene lactones
Isotope Atom Count 0.0
Molecular Complexity 401.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Uniprot Id P18031
Iupac Name (5R,6S,9S)-6-methyl-3-propan-2-ylidene-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.3
Gsk 4 400 Rule True
Molecular Formula C15H22O2
Scaffold Graph Node Bond Level C=C1CC2(CCCC2)OC1=O
Prediction Swissadme 1.0
Inchi Key KHOTZHZBHNDKOB-CORIIIEPSA-N
Silicos It Class Soluble
Fcsp3 0.6666666666666666
Logs -4.144
Rotatable Bond Count 1.0
Logd 3.544
Synonyms curcumanolide a, curcumanolide-a, curcumariolide a
Esol Class Soluble
Functional Groups C=C(C)C, CC(C)=C1CCOC1=O
Compound Name Curcumanolides A
Prediction Hob Swissadme 1.0
Exact Mass 234.162
Formal Charge 0.0
Monoisotopic Mass 234.162
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 234.33
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -3.9296017999999995
Inchi InChI=1S/C15H22O2/c1-9(2)12-8-15(17-14(12)16)11(5)6-7-13(15)10(3)4/h11,13H,3,6-8H2,1-2,4-5H3/t11-,13-,15+/m0/s1
Smiles C[C@H]1CC[C@H]([C@@]12CC(=C(C)C)C(=O)O2)C(=C)C
Nring 2.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Anisomeles Heyneana (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Curcuma Aeruginosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712039
  • 3. Outgoing r'ship FOUND_IN to/from Curcuma Amada (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Curcuma Angustifolia (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Curcuma Aromatica (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Curcuma Caesia (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Curcuma Domestica (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Curcuma Heyneana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Curcuma Inodora (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Curcuma Kwangsiensis (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Curcuma Longa (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Curcuma Mangga (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Curcuma Montana (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Curcuma Petiolata (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Curcuma Phaeocaulis (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Curcuma Pseudomontana (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Curcuma Rubescens (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Curcuma Wenyujin (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Curcuma Xanthorrhiza (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Curcuma Zanthorrhiza (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Curcuma Zedoaria (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 22. Outgoing r'ship FOUND_IN to/from Curcuma Zerumbet (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Ervatamia Heyneana (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Euphorbia Heyneana (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Peperomia Heyneana (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Pimpinella Heyneana (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Vitis Heyneana (Plant) Rel Props:Reference:
Back to Browse   Back to Home