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7Beta,9Alpha-Dihydroxypimara-8(14),15-Diene

PubChem CID: 70695903

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Compound Synonyms 7beta,9alpha-dihydroxypimara-8(14),15-diene, (2R,4aS,4bS,8aS,10S)-2-ethenyl-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthrene-4a,10-diol, CHEMBL2017494, CHEBI:200073
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 520.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Uniprot Id n.a.
Iupac Name (2R,4aS,4bS,8aS,10S)-2-ethenyl-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydrophenanthrene-4a,10-diol
Prediction Hob 1.0
Xlogp 4.1
Molecular Formula C20H32O2
Prediction Swissadme 1.0
Inchi Key ZGGQYGIKHFZLQI-CZKCSJLSSA-N
Fcsp3 0.8
Logs -4.836
Rotatable Bond Count 1.0
Logd 3.219
Compound Name 7Beta,9Alpha-Dihydroxypimara-8(14),15-Diene
Prediction Hob Swissadme 1.0
Exact Mass 304.24
Formal Charge 0.0
Monoisotopic Mass 304.24
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 304.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -4.2447387999999995
Inchi InChI=1S/C20H32O2/c1-6-18(4)10-11-20(22)14(13-18)15(21)12-16-17(2,3)8-7-9-19(16,20)5/h6,13,15-16,21-22H,1,7-12H2,2-5H3/t15-,16-,18-,19-,20+/m0/s1
Smiles C[C@@]1(CC[C@]2(C(=C1)[C@H](C[C@@H]3[C@@]2(CCCC3(C)C)C)O)O)C=C
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Crotalaria Pulchra (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Eurycoma Sp (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Sp (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Kaempferia Angustifolia (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Kaempferia Galanga (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Kaempferia Marginata (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Kaempferia Pandurata (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Kaempferia Pulchra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Kaempferia Rotunda (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Kaempferia Roturela (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Persicaria Pulchra (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Pterocaulon Sp (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Rheum Sp (Plant) Rel Props:Reference:
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