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12-Hydroxy-13-Methyl-Ent-Podocarp-6,8,11,13-Tetraen-3-One

PubChem CID: 76317306

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Compound Synonyms (4aR,10aS)-6-hydroxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one, CHEMBL3103102, 12-Hydroxy-13-Methyl-Ent-Podocarp-6,8,11,13-Tetraen-3-One
Topological Polar Surface Area 37.3
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 450.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (4aR,10aS)-6-hydroxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one
Prediction Hob 1.0
Xlogp 3.9
Molecular Formula C18H22O2
Prediction Swissadme 0.0
Inchi Key GARWSBVNXDNAOV-QAPCUYQASA-N
Fcsp3 0.5
Logs -4.275
Rotatable Bond Count 0.0
Logd 2.928
Compound Name 12-Hydroxy-13-Methyl-Ent-Podocarp-6,8,11,13-Tetraen-3-One
Prediction Hob Swissadme 0.0
Exact Mass 270.162
Formal Charge 0.0
Monoisotopic Mass 270.162
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 270.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -4.189006399999999
Inchi InChI=1S/C18H22O2/c1-11-9-12-5-6-15-17(2,3)16(20)7-8-18(15,4)13(12)10-14(11)19/h5-6,9-10,15,19H,7-8H2,1-4H3/t15-,18+/m1/s1
Smiles CC1=CC2=C(C=C1O)[C@@]3(CCC(=O)C([C@H]3C=C2)(C)C)C
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Canavalia Virosa (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Cicuta Virosa (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Fluegga Virosa (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Flueggea Leucopyrus (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Flueggea Microcarpa (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Flueggea Suffruticosa (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Flueggea Virosa (Plant) Rel Props:Source_db:npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Lactuca Virosa (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Nasturtium Indicum (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Nasturtium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Rorippa Dubia (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Rorippa Indica (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Rorippa Islandica (Plant) Rel Props:Reference:
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