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2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone

PubChem CID: 4187769

Connections displayed (default: 10).
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Compound Synonyms 2,5-dihydroxy-3-pentadecyl-1,4-benzoquinone, CHEMBL462998, 2,5-Dihydroxy-3-pentadecyl-[1,4]benzoquinone, 2,5-dihydroxy-3-pentadecylcyclohexa-2,5-diene-1,4-dione, CHEBI:204472, BDBM50078882, 2,5-Dihydroxy-3-pentadecylbenzoquinone, AM-573/20891007, 21551-65-5
Topological Polar Surface Area 74.6
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 488.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P09917, P18054, P16050, Q2M385
Iupac Name 2,5-dihydroxy-3-pentadecylcyclohexa-2,5-diene-1,4-dione
Prediction Hob 0.0
Target Id NPT570, NPT3167
Xlogp 7.6
Molecular Formula C21H34O4
Prediction Swissadme 0.0
Inchi Key GXDURRGUXLDZKN-UHFFFAOYSA-N
Fcsp3 0.7142857142857143
Logs -4.164
Rotatable Bond Count 14.0
Logd 2.753
Compound Name 2,5-Dihydroxy-3-pentadecyl-1,4-benzoquinone
Prediction Hob Swissadme 0.0
Exact Mass 350.246
Formal Charge 0.0
Monoisotopic Mass 350.246
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 350.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -5.8707937999999995
Inchi InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20(24)18(22)16-19(23)21(17)25/h16,22,25H,2-15H2,1H3
Smiles CCCCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
Nring 5.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Embelia Acutipetalum (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Embelia Barbeyana (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Embelia Oblongifolia (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Embelia Parviflora (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Embelia Ribes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Embelia Robusta (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Embelia Schimperi (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Ribes Alpinum (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Ribes Fasciculatum (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Ribes Himalense (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Ribes Nigrum (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Ribes Orientale (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Ribes Rubrum (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Ribes Sanguineum (Plant) Rel Props:Reference:
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