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alpha-Muurolol

PubChem CID: 91753440

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Compound Synonyms .alpha.-Muurolol, alpha-muurolol, (1R,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol, 104245-48-9
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2CCCCC2C1
Np Classifier Class Cadinane sesquiterpenoids
Deep Smiles CC=C[C@@H][C@H]CC6))[C@]C)O)CC[C@@H]6CC)C
Heavy Atom Count 16.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CCC2CCCCC2C1
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 292.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 4.0
Iupac Name (1R,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 3.3
Gsk 4 400 Rule True
Molecular Formula C15H26O
Scaffold Graph Node Bond Level C1=CC2CCCCC2CC1
Prediction Swissadme 1.0
Inchi Key LHYHMMRYTDARSZ-CBBWQLFWSA-N
Silicos It Class Soluble
Fcsp3 0.8666666666666667
Logs -4.914
Rotatable Bond Count 1.0
Logd 4.47
Synonyms a-muurolol, amuurolol, muurolol&lt, α&gt, , α-muurolol
Esol Class Soluble
Functional Groups CC(C)=CC, CO
Compound Name alpha-Muurolol
Prediction Hob Swissadme 1.0
Exact Mass 222.198
Formal Charge 0.0
Monoisotopic Mass 222.198
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 222.37
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -3.2569064
Inchi InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15-/m1/s1
Smiles CC1=C[C@H]2[C@H](CC[C@@]([C@H]2CC1)(C)O)C(C)C
Nring 2.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids

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  • 3. Outgoing r'ship FOUND_IN to/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216
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  • 10. Outgoing r'ship FOUND_IN to/from Alseodaphne Semecarpifolia (Plant) Rel Props:Reference:https://doi.org/10.1007/s10600-016-1694-4
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  • 21. Outgoing r'ship FOUND_IN to/from Arnica Montana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216
  • 22. Outgoing r'ship FOUND_IN to/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216
  • 23. Outgoing r'ship FOUND_IN to/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216
  • 24. Outgoing r'ship FOUND_IN to/from Artemisia Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.958567
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  • 26. Outgoing r'ship FOUND_IN to/from Artemisia Roxburghiana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.987927
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  • 28. Outgoing r'ship FOUND_IN to/from Baccharis Linearis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698845
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  • 41. Outgoing r'ship FOUND_IN to/from Colquhounia Coccinea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700115
  • 42. Outgoing r'ship FOUND_IN to/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643580
  • 43. Outgoing r'ship FOUND_IN to/from Corymbia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2013.782477
  • 44. Outgoing r'ship FOUND_IN to/from Cotinus Coggygria (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1456
  • 45. Outgoing r'ship FOUND_IN to/from Cryptomeria Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699267
  • 46. Outgoing r'ship FOUND_IN to/from Cullen Corylifolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1024890
  • 47. Outgoing r'ship FOUND_IN to/from Cupressus Funebris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700001
  • 48. Outgoing r'ship FOUND_IN to/from Cymbopogon Citratus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643689
  • 49. Outgoing r'ship FOUND_IN to/from Cyperus Difformis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644018
  • 50. Outgoing r'ship FOUND_IN to/from Cyperus Rotundus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.794041
  • 51. Outgoing r'ship FOUND_IN to/from Eleutherococcus Trifoliatus (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199901/02)14:1<41::aid-ffj781>3.0.co;2-b
  • 52. Outgoing r'ship FOUND_IN to/from Ephedra Major (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700344
  • 53. Outgoing r'ship FOUND_IN to/from Erigeron Bonariensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1451
  • 54. Outgoing r'ship FOUND_IN to/from Erigeron Canadensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1451
  • 55. Outgoing r'ship FOUND_IN to/from Eucalyptus Camaldulensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1220
  • 56. Outgoing r'ship FOUND_IN to/from Eucalyptus Grandis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1187674
  • 57. Outgoing r'ship FOUND_IN to/from Eugenia Myrcianthes (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1385
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  • 67. Outgoing r'ship FOUND_IN to/from Hypericum Olympicum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1521
  • 68. Outgoing r'ship FOUND_IN to/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 69. Outgoing r'ship FOUND_IN to/from Hyptis Suaveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699605
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  • 89. Outgoing r'ship FOUND_IN to/from Mesua Ferrea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700955
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  • 119. Outgoing r'ship FOUND_IN to/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699486
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  • 122. Outgoing r'ship FOUND_IN to/from Salvia Leucantha (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699953
  • 123. Outgoing r'ship FOUND_IN to/from Satureja Montana (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3514
  • 124. Outgoing r'ship FOUND_IN to/from Schinus Molle (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1639552
  • 125. Outgoing r'ship FOUND_IN to/from Schinus Terebinthifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1346484
  • 126. Outgoing r'ship FOUND_IN to/from Senecio Nudicaulis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1425642
  • 127. Outgoing r'ship FOUND_IN to/from Senna Alata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 128. Outgoing r'ship FOUND_IN to/from Senna Hirsuta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 129. Outgoing r'ship FOUND_IN to/from Senna Occidentalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 130. Outgoing r'ship FOUND_IN to/from Sphaeranthus Indicus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698961
  • 131. Outgoing r'ship FOUND_IN to/from Spilanthes Acmella (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698952
  • 132. Outgoing r'ship FOUND_IN to/from Stachys Byzantina (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1594
  • 133. Outgoing r'ship FOUND_IN to/from Stachys Lavandulifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1594
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  • 135. Outgoing r'ship FOUND_IN to/from Tagetes Lucida (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9700485
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  • 139. Outgoing r'ship FOUND_IN to/from Xanthium Strumarium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699131
  • 140. Outgoing r'ship FOUND_IN to/from Zanthoxylum Acanthopodium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700075
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  • 142. Outgoing r'ship FOUND_IN to/from Zanthoxylum Nitidum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699517
  • 143. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ovalifolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699517
  • 144. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699517
  • 145. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699850
  • 146. Outgoing r'ship FOUND_IN to/from Zinnia Elegans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699552