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Fukanefurochromone B

PubChem CID: 11589332

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Compound Synonyms Fukanefurochromone B, 2,3-dihydro-7-hydroxy-2R*,3R*-dimethyl-2-[4,8-dimethyl-3(E),7-nonadien-6-onyl]furo[3,2-b]chromone, (2R,3R)-2-((3E)-4,8-dimethyl-6-oxonona-3,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo(2,3-b)chromen-4-one, (2R,3R)-2-[(3E)-4,8-dimethyl-6-oxonona-3,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one, 2,3-dihydro-7-hydroxy-2R*,3R*-dimethyl-2-(4,8-dimethyl-3(E),7-nonadien-6-onyl)furo(3,2-b)chromone, CHEMBL456950, 864370-10-5
Topological Polar Surface Area 72.8
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 29.0
Isotope Atom Count 0.0
Molecular Complexity 770.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (2R,3R)-2-[(3E)-4,8-dimethyl-6-oxonona-3,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one
Prediction Hob 1.0
Xlogp 5.0
Molecular Formula C24H28O5
Prediction Swissadme 1.0
Inchi Key OROKUKZIDYKSRX-BAFNZYHESA-N
Fcsp3 0.4166666666666667
Logs -3.896
Rotatable Bond Count 6.0
Logd 3.101
Compound Name Fukanefurochromone B
Prediction Hob Swissadme 1.0
Exact Mass 396.194
Formal Charge 0.0
Monoisotopic Mass 396.194
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 396.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 1.0
Esol -4.948267013793105
Inchi InChI=1S/C24H28O5/c1-14(2)11-18(26)12-15(3)7-6-10-24(5)16(4)21-22(27)19-9-8-17(25)13-20(19)28-23(21)29-24/h7-9,11,13,16,25H,6,10,12H2,1-5H3/b15-7+/t16-,24-/m1/s1
Smiles C[C@@H]1C2=C(OC3=C(C2=O)C=CC(=C3)O)O[C@]1(C)CC/C=C(\C)/CC(=O)C=C(C)C
Nring 3.0
Defined Bond Stereocenter Count 1.0

  • 1. Outgoing r'ship FOUND_IN to/from Ferula Alliacea (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Ferula Ammoniacum (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Ferula Arrigonii (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Ferula Asafoetida (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Ferula Assafoetida (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Ferula Borealis (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Ferula Foetida (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Ferula Fukanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Ferula Galbaniflua (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Ferula Gummosa (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Ferula Jaeschkeana (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Ferula Kuhistanica (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Ferula Moschata (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Ferula Narther (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Ferula Narthex (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Ferula Oopoda (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Ferula Ovina (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Ferula Persica (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Ferula Polyantha (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Ferula Transiliensis (Plant) Rel Props:Reference: