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Viridiflorene

PubChem CID: 10910653

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Compound Synonyms (+)-Ledene, Viridiflorene, Ledene, 21747-46-6, Leden, (1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene, 236ZZ41F70, (1S,2R,4R,11R)-3,3,7,11-Tetramethyltricyclo[6.3.0.02.4]undec-7-ene, (1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene, 1H-Cycloprop(e)azulene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, (+)-, (+)-1a,2,3,5,6,7,7a,7b-Octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene, Leden, Viridiflorene, EINECS 244-565-3, MFCD00042613, LEDENE, (+)-, UNII-236ZZ41F70, CHEBI:63444, DTXSID60944355, 1H-CYCLOPROP(E)AZULENE, 1A,2,3,5,6,7,7A,7B-OCTAHYDRO-1,1,4,7-TETRAMETHYL-, (1AR-(1A.ALPHA.,7.ALPHA.,7A.BETA.,7B.ALPHA.))-, AKOS017343166, HY-121472, CS-0082153, C20162, (+)-Ledene, >=95.0% (sum of enantiomers, GC), Q27132626, 1,1,4,7-tetramethyl-1alpha,2,3,5,6,7,7alpha,7b-octahydro-1H-cyclopropa[e]azulene, (1aR,7R,7aS,7bR,Z)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene, (1AR-(1A.ALPHA.,7.ALPHA.,7A.BETA.,7B.ALPHA.))-1A,2,3,5,6,7,7A,7B-OCTAHYDRO-1,1,4,7-TETRAMETHYL-1H-CYCLOPROP(E)AZULENE, (1AR-(1aalpha,7alpha,7abeta,7balpha))-1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-1H-cycloprop(e)azulene, 1H-CYCLOPROP(E)AZULENE, 1A,2,3,5,6,7,7A,7B-OCTAHYDRO-1,1,4,7-TETRAMETHYL-, (1AR,7R,7AS,7BR)-
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 C1CC2CCCC2C2CC2C1
Np Classifier Class Aromadendrane sesquiterpenoids
Deep Smiles C[C@@H]CCC=CC)CC[C@@H][C@H][C@H]%107)C3C)C
Heavy Atom Count 15.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CC2CCCC2C2CC2C1
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 321.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 4.0
Iupac Name (1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene
Prediction Hob 1.0
Class Prenol lipids
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.0
Superclass Lipids and lipid-like molecules
Subclass Sesquiterpenoids
Gsk 4 400 Rule False
Molecular Formula C15H24
Scaffold Graph Node Bond Level C1=C2CCCC2C2CC2CC1
Prediction Swissadme 0.0
Inchi Key WGTRJVCFDUCKCM-FMKGYKFTSA-N
Silicos It Class Soluble
Fcsp3 0.8666666666666667
Logs -5.938
Rotatable Bond Count 0.0
Logd 5.562
Synonyms Leden, Ledene, (+)-Ledene, (+)-Viridiflorene, (+)-leden, (+)-ledene, leden, ledene, ledene (=viridiflorene), viridi ̄orene, viridiflorene, viridiflorene
Esol Class Soluble
Functional Groups CC(C)=C(C)C
Compound Name Viridiflorene
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 4.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homopolycyclic compounds
Lipinski Rule Of 5 True
Esol -3.6459133999999995
Inchi InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10,12-14H,5-8H2,1-4H3/t10-,12-,13-,14-/m1/s1
Smiles C[C@@H]1CCC2=C(CC[C@@H]3[C@H]([C@H]12)C3(C)C)C
Nring 3.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent 5,10-cycloaromadendrane sesquiterpenoids
Np Classifier Superclass Sesquiterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Acca Sellowiana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698719
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  • 6. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 14. Outgoing r'ship FOUND_IN to/from Bixa Orellana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712065
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  • 19. Outgoing r'ship FOUND_IN to/from Cananga Odorata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698660
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  • 23. Outgoing r'ship FOUND_IN to/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all
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  • 36. Outgoing r'ship FOUND_IN to/from Cotinus Coggygria (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1149
  • 37. Outgoing r'ship FOUND_IN to/from Craibiodendron Yunnanense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 38. Outgoing r'ship FOUND_IN to/from Cymbopogon Jwarancusa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1509023
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  • 55. Outgoing r'ship FOUND_IN to/from Eucalyptus Resinifera (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1026
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  • 64. Outgoing r'ship FOUND_IN to/from Eucalyptus Viridis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100605
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  • 67. Outgoing r'ship FOUND_IN to/from Garcinia Huillensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1420
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  • 76. Outgoing r'ship FOUND_IN to/from Isodon Rugosus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644014
  • 77. Outgoing r'ship FOUND_IN to/from Juniperus Communis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1243
  • 78. Outgoing r'ship FOUND_IN to/from Lansium Parasiticum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090608
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  • 82. Outgoing r'ship FOUND_IN to/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 83. Outgoing r'ship FOUND_IN to/from Lippia Alba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1487343
  • 84. Outgoing r'ship FOUND_IN to/from Liquidambar Orientalis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1050
  • 85. Outgoing r'ship FOUND_IN to/from Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643795
  • 86. Outgoing r'ship FOUND_IN to/from Melaleuca Alternifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 87. Outgoing r'ship FOUND_IN to/from Melaleuca Leucadendra (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1823
  • 88. Outgoing r'ship FOUND_IN to/from Mentha Piperita (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1487343
  • 89. Outgoing r'ship FOUND_IN to/from Murraya Paniculata (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199801/02)13:1<59::aid-ffj693>3.0.co;2-l
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  • 93. Outgoing r'ship FOUND_IN to/from Oplopanax Elatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 94. Outgoing r'ship FOUND_IN to/from Origanum Majorana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644078
  • 95. Outgoing r'ship FOUND_IN to/from Origanum Onites (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699077
  • 96. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Reference:ISBN:9770972795006
  • 97. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 98. Outgoing r'ship FOUND_IN to/from Panax Quinquefolius (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2006.10643501
  • 99. Outgoing r'ship FOUND_IN to/from Pandanus Odorifer (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1331
  • 100. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3390
  • 101. Outgoing r'ship FOUND_IN to/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 102. Outgoing r'ship FOUND_IN to/from Persea Americana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9701016
  • 103. Outgoing r'ship FOUND_IN to/from Phyllanthus Muellerianus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1623721
  • 104. Outgoing r'ship FOUND_IN to/from Pimenta Dioica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700628
  • 105. Outgoing r'ship FOUND_IN to/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 106. Outgoing r'ship FOUND_IN to/from Pinus Merkusii (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1609
  • 107. Outgoing r'ship FOUND_IN to/from Piper Aduncum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090611
  • 108. Outgoing r'ship FOUND_IN to/from Piper Betle (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090611
  • 109. Outgoing r'ship FOUND_IN to/from Pistacia Lentiscus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1095
  • 110. Outgoing r'ship FOUND_IN to/from Platycladus Orientalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643943
  • 111. Outgoing r'ship FOUND_IN to/from Pogostemon Cablin (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.862077
  • 112. Outgoing r'ship FOUND_IN to/from Polyalthia Longifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2017.1422810
  • 113. Outgoing r'ship FOUND_IN to/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643568
  • 114. Outgoing r'ship FOUND_IN to/from Ribes Nigrum (Plant) Rel Props:Reference:ISBN:9788185042145
  • 115. Outgoing r'ship FOUND_IN to/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1533433
  • 116. Outgoing r'ship FOUND_IN to/from Ruta Chalepensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.914001
  • 117. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1491331
  • 118. Outgoing r'ship FOUND_IN to/from Satureja Hortensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643457
  • 119. Outgoing r'ship FOUND_IN to/from Satureja Montana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643720
  • 120. Outgoing r'ship FOUND_IN to/from Schinus Molle (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644129
  • 121. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 122. Outgoing r'ship FOUND_IN to/from Senna Alata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 123. Outgoing r'ship FOUND_IN to/from Senna Hirsuta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 124. Outgoing r'ship FOUND_IN to/from Senna Occidentalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643995
  • 125. Outgoing r'ship FOUND_IN to/from Seseli Libanotis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1722
  • 126. Outgoing r'ship FOUND_IN to/from Sinopodophyllum Hexandrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 127. Outgoing r'ship FOUND_IN to/from Styrax Benzoin (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1230
  • 128. Outgoing r'ship FOUND_IN to/from Styrax Tonkinensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1230
  • 129. Outgoing r'ship FOUND_IN to/from Syzygium Aromaticum (Plant) Rel Props:Reference:ISBN:9788172363093
  • 130. Outgoing r'ship FOUND_IN to/from Syzygium Nervosum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9699366
  • 131. Outgoing r'ship FOUND_IN to/from Thymus Fedtschenkoi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1036
  • 132. Outgoing r'ship FOUND_IN to/from Thymus Kotschyanus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10644005
  • 133. Outgoing r'ship FOUND_IN to/from Thymus Linearis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2019.1662337
  • 134. Outgoing r'ship FOUND_IN to/from Thymus Migricus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1036
  • 135. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1623086
  • 136. Outgoing r'ship FOUND_IN to/from Torilis Leptophylla (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662596
  • 137. Outgoing r'ship FOUND_IN to/from Valeriana Jatamansi (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644014
  • 138. Outgoing r'ship FOUND_IN to/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 139. Outgoing r'ship FOUND_IN to/from Vitex Trifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060115
  • 140. Outgoing r'ship FOUND_IN to/from Zanthoxylum Nitidum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699517
  • 141. Outgoing r'ship FOUND_IN to/from Zanthoxylum Ovalifolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699517
  • 142. Outgoing r'ship FOUND_IN to/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699517
  • 143. Outgoing r'ship FOUND_IN to/from Zataria Multiflora (Plant) Rel Props:Reference:https://doi.org/10.1002/1099-1026(200011/12)15:6<373::aid-ffj923>3.0.co;2-9
  • 144. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1487343
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