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(6R,7S)-7-hydroxy-6-(hydroxymethyl)-1-methyl-6,7,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione

PubChem CID: 163055603

Connections displayed (default: 10).
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Topological Polar Surface Area 87.7
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 23.0
Isotope Atom Count 0.0
Molecular Complexity 518.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (6R,7S)-7-hydroxy-6-(hydroxymethyl)-1-methyl-6,7,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione
Prediction Hob 1.0
Xlogp 1.8
Molecular Formula C18H16O5
Prediction Swissadme 1.0
Inchi Key OUFIJYAHFBAFBX-STQMWFEESA-N
Fcsp3 0.3333333333333333
Logs -4.098
Rotatable Bond Count 1.0
Logd 2.146
Compound Name (6R,7S)-7-hydroxy-6-(hydroxymethyl)-1-methyl-6,7,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione
Prediction Hob Swissadme 1.0
Exact Mass 312.1
Formal Charge 0.0
Monoisotopic Mass 312.1
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 312.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -3.1794032434782613
Inchi InChI=1S/C18H16O5/c1-8-7-23-18-11-3-2-9-10(4-5-13(20)12(9)6-19)15(11)17(22)16(21)14(8)18/h2-3,7,12-13,19-20H,4-6H2,1H3/t12-,13-/m0/s1
Smiles CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CC[C@@H]([C@H]4CO)O
Nring 4.0
Defined Bond Stereocenter Count 0.0

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