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1,5-Dihydroxy-3-methoxy-7-methylanthracene-9,10-dione

PubChem CID: 15138599

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Compound Synonyms 1,5-dihydroxy-3-methoxy-7-methylanthracene-9,10-dione, 148918-78-9, DTXSID90568902, 1,5-dihydroxy-7-methoxy-3-methylanthraquinone, 1,5-dihydroxy-3-methoxy-7-methylanthraquinone, CHEMBL472221, SCHEMBL16226000, DTXCID90519676
Topological Polar Surface Area 83.8
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 448.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1,5-dihydroxy-3-methoxy-7-methylanthracene-9,10-dione
Prediction Hob 1.0
Xlogp 3.6
Molecular Formula C16H12O5
Prediction Swissadme 0.0
Inchi Key LLZYZGMVXFGQAY-UHFFFAOYSA-N
Fcsp3 0.125
Logs -6.037
Rotatable Bond Count 1.0
Logd 3.047
Compound Name 1,5-Dihydroxy-3-methoxy-7-methylanthracene-9,10-dione
Prediction Hob Swissadme 0.0
Exact Mass 284.068
Formal Charge 0.0
Monoisotopic Mass 284.068
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 284.26
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.227312542857143
Inchi InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)10-5-8(21-2)6-12(18)14(10)15(9)19/h3-6,17-18H,1-2H3
Smiles CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Amentotaxus Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Artemisia Siversiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Camptothecium Lutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Deguelia Hatschbachii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Delphinium Cyphoplectrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Dioscorea Communis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Euphorbia Retusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Notholaena Dealbata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Salvia Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Stauntonia Obovatifoliola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Uvaria Klaineana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Viburnum Sieboldi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Vicia Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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