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Morusignin J

PubChem CID: 71452951

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Compound Synonyms Morusignin J, 6,8,11-trihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano(2,3-c)xanthen-7-one, 6,8,11-trihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one, CHEMBL2147812, 149733-93-7
Topological Polar Surface Area 96.2
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 29.0
Isotope Atom Count 0.0
Molecular Complexity 708.0
Database Name cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 6,8,11-trihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one
Nih Violation False
Prediction Hob 1.0
Xlogp 5.3
Is Pains False
Molecular Formula C23H22O6
Prediction Swissadme 0.0
Inchi Key UTJUCKQNRWMQHF-UHFFFAOYSA-N
Fcsp3 0.2608695652173913
Logs -3.354
Rotatable Bond Count 2.0
Logd 2.58
Compound Name Morusignin J
Prediction Hob Swissadme 0.0
Exact Mass 394.142
Formal Charge 0.0
Brenk Violation True
Monoisotopic Mass 394.142
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 394.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -6.189863979310346
Inchi InChI=1S/C23H22O6/c1-11(2)5-6-12-18(26)17-19(27)16-14(24)7-8-15(25)22(16)28-21(17)13-9-10-23(3,4)29-20(12)13/h5,7-10,24-26H,6H2,1-4H3
Smiles CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=C(C=CC(=C4O3)O)O)C=CC(O2)(C)C)C
Nring 4.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Abies Alba (Plant) Rel Props:Reference:
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  • 3. Outgoing r'ship FOUND_IN to/from Basella Alba (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Berberis Insignis (Plant) Rel Props:Reference:
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  • 6. Outgoing r'ship FOUND_IN to/from Brassica Alba (Plant) Rel Props:Reference:
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  • 11. Outgoing r'ship FOUND_IN to/from Chiococca Alba (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Chrysolaena Propinqua (Plant) Rel Props:Reference:
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  • 14. Outgoing r'ship FOUND_IN to/from Datura Alba (Plant) Rel Props:Reference:
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  • 20. Outgoing r'ship FOUND_IN to/from Falconeria Insignis (Plant) Rel Props:Reference:
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  • 27. Outgoing r'ship FOUND_IN to/from Garcinia Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Garcinia Echinocarpa (Plant) Rel Props:Reference:
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  • 69. Outgoing r'ship FOUND_IN to/from Garcinia Travancorica (Plant) Rel Props:Reference:
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  • 71. Outgoing r'ship FOUND_IN to/from Garcinia Wightii (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Garcinia Xanthochymus (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Garcinia Xipshuanbannaensis (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Hovenia Dulcis (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Hymenoxys Insignis (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Ipomoea Alba (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Lawsonia Alba (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Lippia Alba (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Lippia Dulcis (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Melilotus Alba (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Michelia Alba (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 83. Outgoing r'ship FOUND_IN to/from Morus Australis (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Morus Bombycis (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Morus Cathayana (Plant) Rel Props:Reference:
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  • 87. Outgoing r'ship FOUND_IN to/from Morus Macroma (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Morus Macroura (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Morus Mongolica (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Morus Nigra (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Morus Rubra (Plant) Rel Props:Reference:
  • 92. Outgoing r'ship FOUND_IN to/from Morus Serrata (Plant) Rel Props:Reference:
  • 93. Outgoing r'ship FOUND_IN to/from Morus Yunnanensis (Plant) Rel Props:Reference:
  • 94. Outgoing r'ship FOUND_IN to/from Nymphaea Alba (Plant) Rel Props:Reference:
  • 95. Outgoing r'ship FOUND_IN to/from Ozoroa Insignis (Plant) Rel Props:Reference:
  • 96. Outgoing r'ship FOUND_IN to/from Parishia Insignis (Plant) Rel Props:Reference:
  • 97. Outgoing r'ship FOUND_IN to/from Platonia Insignis (Plant) Rel Props:Reference:
  • 98. Outgoing r'ship FOUND_IN to/from Plumeria Alba (Plant) Rel Props:Reference:
  • 99. Outgoing r'ship FOUND_IN to/from Populus Alba (Plant) Rel Props:Reference:
  • 100. Outgoing r'ship FOUND_IN to/from Potentilla Alba (Plant) Rel Props:Reference:
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  • 102. Outgoing r'ship FOUND_IN to/from Pulicaria Insignis (Plant) Rel Props:Reference:
  • 103. Outgoing r'ship FOUND_IN to/from Rosa Alba (Plant) Rel Props:Reference:
  • 104. Outgoing r'ship FOUND_IN to/from Salix Alba (Plant) Rel Props:Reference:
  • 105. Outgoing r'ship FOUND_IN to/from Schisandra Propinqua (Plant) Rel Props:Reference:
  • 106. Outgoing r'ship FOUND_IN to/from Scoparia Dulcis (Plant) Rel Props:Reference:
  • 107. Outgoing r'ship FOUND_IN to/from Sida Alba (Plant) Rel Props:Reference:
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  • 110. Outgoing r'ship FOUND_IN to/from Spondias Dulcis (Plant) Rel Props:Reference:
  • 111. Outgoing r'ship FOUND_IN to/from Uvaria Dulcis (Plant) Rel Props:Reference:
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