beta-Chamigrene
PubChem CID: 442353
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | beta-Chamigrene, (-)-beta-Chamigrene, 18431-82-8, Chamigren, (R)-beta-chamigrene, (-)-chamigrene, (6R)-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene, Chamigrene, CHEBI:10359, (6R)-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene, CHEBI:61744, (6R)-3,7,7-trimethyl-11-methylidenespiro(5.5)undec-2-ene, (R)-11-Methylene-3,7,7-trimethylspiro[5.5]undec-2-ene, DTXSID60939822, WLNGPDPILFYWKF-OAHLLOKOSA-N, C09637, Q27108622 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC12CCCCC2 |
| Np Classifier Class | Chamigrane sesquiterpenoids |
| Deep Smiles | CC=CC[C@@]CC6))C=C)CCCC6C)C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCCCC12CCCCC2 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 306.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6R)-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24 |
| Scaffold Graph Node Bond Level | C=C1CCCCC12CC=CCC2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WLNGPDPILFYWKF-OAHLLOKOSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.7333333333333333 |
| Logs | -1.114 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.004 |
| Synonyms | beta-chamigrene, β-chamigrene |
| Esol Class | Moderately soluble |
| Functional Groups | C=C(C)C, CC=C(C)C |
| Compound Name | beta-Chamigrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.0491133999999995 |
| Inchi | InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3/t15-/m1/s1 |
| Smiles | CC1=CC[C@@]2(CC1)C(=C)CCCC2(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_INto/from Achillea Alpina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700125 - 3. Outgoing r'ship
FOUND_INto/from Achillea Moschata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloysia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.854505 - 5. Outgoing r'ship
FOUND_INto/from Alpinia Calcarata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.751058 - 6. Outgoing r'ship
FOUND_INto/from Alpinia Zerumbet (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199911/12)14:6<411::aid-ffj854>3.0.co;2-u - 7. Outgoing r'ship
FOUND_INto/from Amomum Villosum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1989.9697780 - 8. Outgoing r'ship
FOUND_INto/from Angelica Glauca (Plant) Rel Props:Reference:ISBN:9788185042145 - 9. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700822 - 11. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Reference:https://doi.org/10.5935/0103-5053.20130263 - 12. Outgoing r'ship
FOUND_INto/from Artemisia Absinthium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1526127 - 14. Outgoing r'ship
FOUND_INto/from Artemisia Persica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895181 - 15. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895181 - 16. Outgoing r'ship
FOUND_INto/from Artemisia Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895181 - 17. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Ayapana Triplinervis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701210 - 19. Outgoing r'ship
FOUND_INto/from Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1564381 - 20. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1137236 - 21. Outgoing r'ship
FOUND_INto/from Centella Asiatica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698382 - 22. Outgoing r'ship
FOUND_INto/from Citrus Aurantiifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699653 - 23. Outgoing r'ship
FOUND_INto/from Citrus Nobilis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1790 - 24. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1790 - 25. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1790 - 26. Outgoing r'ship
FOUND_INto/from Cupressus Funebris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700001 - 27. Outgoing r'ship
FOUND_INto/from Cymbopogon Flexuosus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701160 - 28. Outgoing r'ship
FOUND_INto/from Cymbopogon Pendulus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700777 - 29. Outgoing r'ship
FOUND_INto/from Cymbopogon Winterianus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643523 - 30. Outgoing r'ship
FOUND_INto/from Dittrichia Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698754 - 31. Outgoing r'ship
FOUND_INto/from Eryngium Caeruleum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895186 - 32. Outgoing r'ship
FOUND_INto/from Eryngium Foetidum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.960277 - 33. Outgoing r'ship
FOUND_INto/from Ferula Persica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1574 - 34. Outgoing r'ship
FOUND_INto/from Globba Sessiliflora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.692915 - 35. Outgoing r'ship
FOUND_INto/from Hyptis Suaveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698003 - 36. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644074 - 37. Outgoing r'ship
FOUND_INto/from Isodon Wightii (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1211963 - 38. Outgoing r'ship
FOUND_INto/from Juniperus Chinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700001 - 39. Outgoing r'ship
FOUND_INto/from Kyllinga Brevifolia (Plant) Rel Props:Reference:ISBN:9770972795006 - 40. Outgoing r'ship
FOUND_INto/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 41. Outgoing r'ship
FOUND_INto/from Magnolia Grandiflora (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644108 - 42. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700111 - 43. Outgoing r'ship
FOUND_INto/from Nepeta Leucophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 44. Outgoing r'ship
FOUND_INto/from Ocimum Gratissimum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700581 - 45. Outgoing r'ship
FOUND_INto/from Oenanthe Javanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 46. Outgoing r'ship
FOUND_INto/from Phyllanthus Amarus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700201 - 47. Outgoing r'ship
FOUND_INto/from Pinus Merkusii (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1609 - 48. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1219 - 49. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/19772730 - 50. Outgoing r'ship
FOUND_INto/from Salvia Sclarea (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1195292 - 51. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 52. Outgoing r'ship
FOUND_INto/from Skimmia Laureola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 53. Outgoing r'ship
FOUND_INto/from Stachys Byzantina (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1594 - 54. Outgoing r'ship
FOUND_INto/from Stachys Lavandulifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1594 - 55. Outgoing r'ship
FOUND_INto/from Stevia Rebaudiana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699390 - 56. Outgoing r'ship
FOUND_INto/from Tanacetum Nubigenum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643659 - 57. Outgoing r'ship
FOUND_INto/from Tanacetum Parthenium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1632228 - 58. Outgoing r'ship
FOUND_INto/from Thuja Orientalis (Plant) Rel Props:Source_db:npass_chem_all - 59. Outgoing r'ship
FOUND_INto/from Zingiber Zerumbet (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698490