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15,15'-cis-Phytoene

PubChem CID: 9963391

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Compound Synonyms 15-cis-Phytoene, 13920-14-4, cis-Phytoene, (6E,10E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene, 15,15'-cis-Phytoene, 15-cis-Phytoene (>80%), 876K2ZK1OF, (all-E) phytoene, 15-cis-7,7',8,8',11,11',12,12'-octahydro-psi.psi-Carotene, 15-cis-Pytoene, 15-cis-7,7',8,8',11,11',12,12'-Octahydro-?,?-carotene, PhytoflORAL, 15-cis-7,7',8,8',11,11',12,12'-Octahydro-lycopene, , (15Z)-Phytoene, 15Z-Phytoene isomer, starbld0003373, phytoene, (cis)-isomer, UNII-876K2ZK1OF, CHEBI:27787, DTXSID10433340, LMPR01070255, FP27034, C05421, Q302247, 15-cis-7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene, 15-cis-7,8,11,12,7',8',11',12'-octahydro-psi,psi-carotene, 7,7',8,8',11,11',12,12'-OCTAHYDRO-.PSI.,.PSI.-CAROTENE, 15-cis-7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene, 15-cis-7,7',8,8',11,11',12,12'-Octahydro-lycopene
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 40.0
Isotope Atom Count 0.0
Molecular Complexity 887.0
Database Name cmaup_ingredients;hmdb_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (6E,10E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene
Prediction Hob 0.0
Class Prenol lipids
Xlogp 15.3
Superclass Lipids and lipid-like molecules
Subclass Tetraterpenoids
Molecular Formula C40H64
Prediction Swissadme 0.0
Inchi Key YVLPJIGOMTXXLP-BHLJUDRVSA-N
Fcsp3 0.55
Logs -3.644
Rotatable Bond Count 20.0
Logd 2.893
Synonyms (6E,10E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene, cis-Phytoene, Phytoene, 7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene, Phytoene, (15-cis)-isomer, Phytoene, (cis)-isomer, (15Z)-Phytoene, 15,15'-cis-Phytoene, 15,15’-cis-phytoene, 15-cis-7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene, 15-cis-7,7',8,8',11,11',12,12'-Octahydro-ψ,ψ-carotene, 15-cis-7,7’,8,8’,11,11’,12,12’-octahydro-ψ,ψ-carotene, 15-cis-Phytoene
Compound Name 15,15'-cis-Phytoene
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 544.501
Formal Charge 0.0
Monoisotopic Mass 544.501
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 544.9
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 7.0
Molecular Framework Aliphatic acyclic compounds
Esol -11.562902400000002
Inchi InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
Smiles CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C\C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)C
Nring 0.0
Defined Bond Stereocenter Count 7.0
Taxonomy Direct Parent Carotenes

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Adunca (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Adiantum Lunulatum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Alstonia Spathulata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Annona Cornifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Artemisia Assoana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Astragalus Sempervirens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Calostephane Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Caragana Aurantiaca (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Carica Papaya (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Cotyledon Secunda (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Dumortiera Hirsuta (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Eucalyptus Melliodora (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Gnetum Latifolium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Goniothalamus Malayanus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Hedysarum Connatum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Helipterum Roseum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Hypericum Laricifolium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 20. Outgoing r'ship FOUND_IN to/from Ipomoea Digitata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 21. Outgoing r'ship FOUND_IN to/from Lepisorus Ussuriensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 22. Outgoing r'ship FOUND_IN to/from Lysimachia Mauritiana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 23. Outgoing r'ship FOUND_IN to/from Marrubium Anisodon (Plant) Rel Props:Source_db:cmaup_ingredients
  • 24. Outgoing r'ship FOUND_IN to/from Naucleopsis Ternstroemiiflora (Plant) Rel Props:Source_db:cmaup_ingredients
  • 25. Outgoing r'ship FOUND_IN to/from Pastinaca Sativa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 26. Outgoing r'ship FOUND_IN to/from Peltostigma Guatemalense (Plant) Rel Props:Source_db:cmaup_ingredients
  • 27. Outgoing r'ship FOUND_IN to/from Phoebe Pittieri (Plant) Rel Props:Source_db:cmaup_ingredients
  • 28. Outgoing r'ship FOUND_IN to/from Premna Odorata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 29. Outgoing r'ship FOUND_IN to/from Rauvolfia Vomitoria (Plant) Rel Props:Source_db:cmaup_ingredients
  • 30. Outgoing r'ship FOUND_IN to/from Rumex Maritimus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 31. Outgoing r'ship FOUND_IN to/from Salvia Syriaca (Plant) Rel Props:Source_db:cmaup_ingredients
  • 32. Outgoing r'ship FOUND_IN to/from Scutellaria Amoena (Plant) Rel Props:Source_db:cmaup_ingredients
  • 33. Outgoing r'ship FOUND_IN to/from Solanum Laxum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 34. Outgoing r'ship FOUND_IN to/from Swertia Franchetiana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 35. Outgoing r'ship FOUND_IN to/from Tagetes Erecta (Plant) Rel Props:Source_db:cmaup_ingredients
  • 36. Outgoing r'ship FOUND_IN to/from Vaccinium Oxycoccos (Plant) Rel Props:Source_db:cmaup_ingredients
  • 37. Outgoing r'ship FOUND_IN to/from Viguiera Incana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 38. Outgoing r'ship FOUND_IN to/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients
  • 39. Outgoing r'ship FOUND_IN to/from Wikstroemia Retusa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 40. Outgoing r'ship FOUND_IN to/from Zanthoxylum Tetraspermum (Plant) Rel Props:Source_db:cmaup_ingredients
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