beta-Copaene

PubChem CID: 57339298

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Compound Synonyms	beta-Copaene, (1S,6S,7S,8S)-1-methyl-3-methylene-8-(propan-2-yl)-tricyclo[4.4.0.0(2,7)]decane, (1S,6S,7S,8S)-8-isopropyl-1-methyl-3-methylenetricyclo[4.4.0.0(2,7)]decane, CHEBI:64799, C20274, Q27133439
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	CC1CCC2C3CCCC2C13
Np Classifier Class	Copaane sesquiterpenoids
Deep Smiles	CC[C@@H]CC[C@][C@@H][C@H]6C4C=C)CC6))))))C)))))C
Heavy Atom Count	15.0
Classyfire Class	Prenol lipids
Description	Beta-copaene, also known as β-copaene, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Beta-copaene can be found in a number of food items such as peppermint, common sage, corn, and star anise, which makes beta-copaene a potential biomarker for the consumption of these food products. Copaene, or more precisely, α-copaene, is the common (or trivial) chemical name of an oily liquid hydrocarbon that is found in a number of essential oil-producing plants. The name is derived from that of the resin-producing tropical copaiba tree, Copaifera langsdorfii, from which the compound was first isolated in 1914. Its structure, including the chirality, was determined in 1963. The double-bond isomer with an exocyclic-methylene group, β-copaene, was first reported in 1967 .
Scaffold Graph Node Level	CC1CCC2C3CCCC2C13
Classyfire Subclass	Sesquiterpenoids
Isotope Atom Count	0.0
Molecular Complexity	301.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(1S,6S,7S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
Prediction Hob	0.0
Class	Prenol lipids
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	4.7
Superclass	Lipids and lipid-like molecules
Subclass	Sesquiterpenoids
Gsk 4 400 Rule	False
Molecular Formula	C15H24
Scaffold Graph Node Bond Level	C=C1CCC2C3CCCC2C13
Prediction Swissadme	0.0
Inchi Key	UPVZPMJSRSWJHQ-XIQJJJERSA-N
Silicos It Class	Soluble
Fcsp3	0.8666666666666667
Rotatable Bond Count	1.0
Synonyms	(1S,6S,7S,8S)-8-Isopropyl-1-methyl-3-methylenetricyclo[4.4.0.0(2,7)]decane, b-Copaene, Β-copaene, beta copaene, beta-copaene, β- copaene, β-copaene
Esol Class	Moderately soluble
Functional Groups	C=C(C)C
Compound Name	beta-Copaene
Kingdom	Organic compounds
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	5.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic homopolycyclic compounds
Lipinski Rule Of 5	True
Esol	-4.0083134
Inchi	InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1
Smiles	CC(C)[C@@H]1CC[C@]2([C@@H]3[C@H]1C2C(=C)CC3)C
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Sesquiterpenoids
Np Classifier Superclass	Sesquiterpenoids

1. Outgoing r'ship FOUND_IN to/from Acmella Oleracea (Plant) Rel Props:Reference:https://doi.org/10.1016/j.jep.2018.08.030
2. Outgoing r'ship FOUND_IN to/from Acorus Calamus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1331142
3. Outgoing r'ship FOUND_IN to/from Agrimonia Eupatoria (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643733
4. Outgoing r'ship FOUND_IN to/from Aloysia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.854494
5. Outgoing r'ship FOUND_IN to/from Aloysia Gratissima (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1690
6. Outgoing r'ship FOUND_IN to/from Alpinia Calcarata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.751058
7. Outgoing r'ship FOUND_IN to/from Anacardium Occidentale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699302
8. Outgoing r'ship FOUND_IN to/from Anaphalis Margaritacea (Plant) Rel Props:Reference:https://doi.org/10.20959/wjpr201714-9923
9. Outgoing r'ship FOUND_IN to/from Anastatica Hierochuntica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1504695
10. Outgoing r'ship FOUND_IN to/from Angelica Archangelica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.10554250
11. Outgoing r'ship FOUND_IN to/from Annona Muricata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699288
12. Outgoing r'ship FOUND_IN to/from Annona Squamosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698278
13. Outgoing r'ship FOUND_IN to/from Anthriscus Nemorosa (Plant) Rel Props:Reference:https://doi.org/10.1016/j.sajb.2019.07.031
14. Outgoing r'ship FOUND_IN to/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.1001139
15. Outgoing r'ship FOUND_IN to/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1526127
16. Outgoing r'ship FOUND_IN to/from Artemisia Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.958567
17. Outgoing r'ship FOUND_IN to/from Artemisia Nilagirica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1083489
18. Outgoing r'ship FOUND_IN to/from Artemisia Persica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895181
19. Outgoing r'ship FOUND_IN to/from Artemisia Scoparia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895181
20. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1602083
21. Outgoing r'ship FOUND_IN to/from Bidens Pilosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700039
22. Outgoing r'ship FOUND_IN to/from Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699322
23. Outgoing r'ship FOUND_IN to/from Caesalpinia Decapetala (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.703475
24. Outgoing r'ship FOUND_IN to/from Caesalpinia Pulcherrima (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1526124
25. Outgoing r'ship FOUND_IN to/from Cananga Odorata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700717
26. Outgoing r'ship FOUND_IN to/from Chamaemelum Nobile (Plant) Rel Props:Source_db:fooddb_chem_all
27. Outgoing r'ship FOUND_IN to/from Chromolaena Odorata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643525
28. Outgoing r'ship FOUND_IN to/from Chrysopogon Zizanioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699129
29. Outgoing r'ship FOUND_IN to/from Cinnamomum Verum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3514
30. Outgoing r'ship FOUND_IN to/from Citrus Aurantium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698477
31. Outgoing r'ship FOUND_IN to/from Citrus Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700146
32. Outgoing r'ship FOUND_IN to/from Citrus Limon (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090404
33. Outgoing r'ship FOUND_IN to/from Citrus Maxima (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700268
34. Outgoing r'ship FOUND_IN to/from Citrus Paradisi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698477
35. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701025
36. Outgoing r'ship FOUND_IN to/from Combretum Albidum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1409659
37. Outgoing r'ship FOUND_IN to/from Coreopsis Grandiflora (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199601)11:1<31::aid-ffj545>3.0.co;2-f
38. Outgoing r'ship FOUND_IN to/from Crassocephalum Crepidioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712152
39. Outgoing r'ship FOUND_IN to/from Cupressus Macrocarpa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1496857
40. Outgoing r'ship FOUND_IN to/from Cupressus Sempervirens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1496857
41. Outgoing r'ship FOUND_IN to/from Curcuma Amada (Plant) Rel Props:Reference:ISBN:9788172362133
42. Outgoing r'ship FOUND_IN to/from Dichrocephala Integrifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199911/12)14:6<419::aid-ffj855>3.0.co;2-3
43. Outgoing r'ship FOUND_IN to/from Dysphania Ambrosioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698506
44. Outgoing r'ship FOUND_IN to/from Eupatorium Cannabinum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699936
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48. Outgoing r'ship FOUND_IN to/from Gliricidia Sepium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1008231
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53. Outgoing r'ship FOUND_IN to/from Hyptis Pectinata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1441
54. Outgoing r'ship FOUND_IN to/from Hyptis Suaveolens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1441
55. Outgoing r'ship FOUND_IN to/from Hyssopus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.935034
56. Outgoing r'ship FOUND_IN to/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all
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70. Outgoing r'ship FOUND_IN to/from Melissa Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730030406
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91. Outgoing r'ship FOUND_IN to/from Pinus Pinaster (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1865
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96. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199909/10)14:5<279::aid-ffj821>3.0.co;2-0
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98. Outgoing r'ship FOUND_IN to/from Prunella Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2006.10643500
99. Outgoing r'ship FOUND_IN to/from Psidium Guajava (Plant) Rel Props:Source_db:fooddb_chem_all
100. Outgoing r'ship FOUND_IN to/from Rosa Canina (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.703509
101. Outgoing r'ship FOUND_IN to/from Salvia Nemorosa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389
102. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all
103. Outgoing r'ship FOUND_IN to/from Salvia Pratensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389
104. Outgoing r'ship FOUND_IN to/from Salvia Sclarea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3389
105. Outgoing r'ship FOUND_IN to/from Salvia Verbenaca (Plant) Rel Props:Reference:https://doi.org/10.1080/22311866.2014.983976
106. Outgoing r'ship FOUND_IN to/from Satureja Montana (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3514
107. Outgoing r'ship FOUND_IN to/from Schinus Molle (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644129
108. Outgoing r'ship FOUND_IN to/from Solidago Canadensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.901612
109. Outgoing r'ship FOUND_IN to/from Solidago Virgaurea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699382
110. Outgoing r'ship FOUND_IN to/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643343
111. Outgoing r'ship FOUND_IN to/from Syzygium Cumini (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1232608
112. Outgoing r'ship FOUND_IN to/from Tagetes Lucida (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9700485
113. Outgoing r'ship FOUND_IN to/from Teucrium Chamaedrys (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700133
114. Outgoing r'ship FOUND_IN to/from Teucrium Polium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1493406
115. Outgoing r'ship FOUND_IN to/from Thymus Pulegioides (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644041
116. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643539
117. Outgoing r'ship FOUND_IN to/from Triumfetta Rhomboidea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1511
118. Outgoing r'ship FOUND_IN to/from Valeriana Jatamansi (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.862082
119. Outgoing r'ship FOUND_IN to/from Xanthium Orientale (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3084
120. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1630015
121. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1598
122. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all
123. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.1001142
124. Outgoing r'ship FOUND_IN to/from Ziziphora Clinopodioides (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643447

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beta-Copaene

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Phytochemical Properties

Associated Connections 124

Plant Connections 124