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(2E,6E,10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid

PubChem CID: 23724772

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Compound Synonyms CHEBI:80538, DTXSID801344116, Q27149584, (2E,6E,10S)-10,11-dihydroxy-3,7,11-trimethyl-dodeca-2,6-dienoic acid, (2E,6E,10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
Topological Polar Surface Area 77.8
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 19.0
Isotope Atom Count 0.0
Molecular Complexity 353.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (2E,6E,10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
Prediction Hob 1.0
Xlogp 2.7
Molecular Formula C15H26O4
Prediction Swissadme 1.0
Inchi Key UULZSWLWBGEDTD-WGRJTNITSA-N
Fcsp3 0.6666666666666666
Logs -3.161
Rotatable Bond Count 8.0
Logd 1.069
Compound Name (2E,6E,10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
Prediction Hob Swissadme 1.0
Exact Mass 270.183
Formal Charge 0.0
Monoisotopic Mass 270.183
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 270.36
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 2.0
Esol -2.6640878
Inchi InChI=1S/C15H26O4/c1-11(8-9-13(16)15(3,4)19)6-5-7-12(2)10-14(17)18/h6,10,13,16,19H,5,7-9H2,1-4H3,(H,17,18)/b11-6+,12-10+/t13-/m0/s1
Smiles C/C(=C\CC/C(=C/C(=O)O)/C)/CC[C@@H](C(C)(C)O)O
Nring 2.0
Defined Bond Stereocenter Count 2.0

  • 1. Outgoing r'ship FOUND_IN to/from Achlys Triphylla (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Albizia Procera (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Artemisia Giraldii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Artemisia Porrecta (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Bulbophyllum Protractum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Bursera Tonkinensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Calystegia Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Cypripedium Calceolus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Diospyros Glaucifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Hortonia Floribunda (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Lactuca Laciniata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Lampranthus Sociorum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Nauclea Rhynchophylla (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Perymenium Mendezii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Picea Glauca (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Tarchonanthus Camphoratus (Plant) Rel Props:Source_db:cmaup_ingredients
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