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.

Germacrone

PubChem CID: 6436348

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

ℹ️ Click here to know more about the properties
Compound Synonyms Germacrone, 6902-91-6, Germacron, (3E,7E)-3,7-Dimethyl-10-(propan-2-ylidene)cyclodeca-3,7-dienone, E2WQ6N4FBP, (E,E)-Germacrone, CHEBI:80830, (3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one, Germacrone (>90%), 3,7-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-, (E,E)-, (E,E)-Germacra-3,7(11),9-trien-6-one, Germacra-3,7(11),9-trien-6-one, (E,E)-, trans,trans-3,7-dimethyl-10-isopropylidene-3,7-cyclodecadien-1-one, (3E,7E)-3,7-DIMETHYL-10-(1-METHYLETHYLIDENE)-3,7-CYCLODECADIEN-1-ONE, Germacrone,(S), MFCD00210050, Germacrone (Standard), UNII-E2WQ6N4FBP, Germacrone, analytical standard, SCHEMBL2551615, SCHEMBL14215872, HY-N0440R, (3E,7E)-3,7-DIMETHYL-10-(PROPAN-2-YLIDENE)CYCLODECA-3,7-DIEN-1-ONE, CAULGCQHVOVVRN-SWZPTJTJSA-N, CAULGCQHVOVVRN-UPAULDTKSA-N, DTXCID601527534, HY-N0440, s9311, AKOS016009673, CCG-266711, FG41654, NCGC00482596-01, AC-34324, CS-0008961, G0519, C16966, Q15410959, 834-535-3
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCCCCCCCC1C
Np Classifier Class Germacrane sesquiterpenoids
Deep Smiles C/C=CCC=CC)C))C=O)C/C=C/CC%10)))/C
Heavy Atom Count 16.0
Classyfire Class Prenol lipids
Description Germacrone is a member of the class of compounds known as germacrane sesquiterpenoids. Germacrane sesquiterpenoids are sesquiterpenoids having the germacrane skeleton, with a structure characterized by a cyclodecane ring substituted with an isopropyl and two methyl groups. Germacrone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Germacrone can be found in common thyme and turmeric, which makes germacrone a potential biomarker for the consumption of these food products. Germacrone is an antiviral isolate of Geranium macrorrhizum .
Scaffold Graph Node Level CC1CCCCCCCCC1O
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 363.0
Database Name cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 3.5
Gsk 4 400 Rule False
Molecular Formula C15H22O
Scaffold Graph Node Bond Level C=C1CC=CCCC=CCC1=O
Prediction Swissadme 0.0
Inchi Key CAULGCQHVOVVRN-SWZPTJTJSA-N
Silicos It Class Soluble
Fcsp3 0.5333333333333333
Logs -4.256
Rotatable Bond Count 0.0
Logd 3.576
Synonyms (e,e)-germacrone, Germacra-3,7(11),9-trien-6-one, (E,E)-, Germacron, Germacrone, germacrome, germacron, germacrone
Esol Class Soluble
Functional Groups C/C=C(/C)C, CC(=O)C(C)=C(C)C
Compound Name Germacrone
Prediction Hob Swissadme 0.0
Exact Mass 218.167
Formal Charge 0.0
Monoisotopic Mass 218.167
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 218.33
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Lipinski Rule Of 5 True
Esol -3.3735079999999997
Inchi InChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7+
Smiles C/C/1=C\CC(=C(C)C)C(=O)C/C(=C/CC1)/C
Nring 1.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 2.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Adiantum Capillus-Veneris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Amomum Villosum (Plant) Rel Props:Source_db:npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886968
  • 4. Outgoing r'ship FOUND_IN to/from Cheilocostus Speciosus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1281769
  • 5. Outgoing r'ship FOUND_IN to/from Curcuma Aeruginosa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730070105
  • 6. Outgoing r'ship FOUND_IN to/from Curcuma Amada (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699608
  • 7. Outgoing r'ship FOUND_IN to/from Curcuma Angustifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1680
  • 8. Outgoing r'ship FOUND_IN to/from Curcuma Aromatica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Curcuma Mangga (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9712004
  • 12. Outgoing r'ship FOUND_IN to/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Curcuma Zanthorrhiza (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730070105
  • 15. Outgoing r'ship FOUND_IN to/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Cyperus Articulatus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.813288
  • 17. Outgoing r'ship FOUND_IN to/from Cyperus Esculentus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.813288
  • 18. Outgoing r'ship FOUND_IN to/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Eugenia Uniflora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700296
  • 20. Outgoing r'ship FOUND_IN to/from Fraxinus Quadrangulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Goniothalamus Borneensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Hedychium Coronarium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1281769
  • 23. Outgoing r'ship FOUND_IN to/from Hyssopus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1442753
  • 24. Outgoing r'ship FOUND_IN to/from Jacobaea Maritima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Kaempferia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Lindera Pulcherrima (Plant) Rel Props:Reference:ISBN:9770972795006
  • 28. Outgoing r'ship FOUND_IN to/from Magnolia Grandiflora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701229
  • 29. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1442753
  • 30. Outgoing r'ship FOUND_IN to/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Rhododendron Edgeworthii (Plant) Rel Props:Reference:ISBN:9788185042114
  • 32. Outgoing r'ship FOUND_IN to/from Rhododendron Mucronulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Sarcandra Glabra (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700114
  • 34. Outgoing r'ship FOUND_IN to/from Schinus Molle (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700558
  • 35. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Zingiber Montanum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701179
  • 37. Outgoing r'ship FOUND_IN to/from Zingiber Zerumbet (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1281769
Back to Browse   Back to Home