This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Antheraxanthin

PubChem CID: 5281223

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms Antheraxanthin, 640-03-9, Antheraxanthin A, trans-Antheraxanthin, all-trans-antheraxanthin, UNII-0306J2L3DV, 68831-78-7, CHEBI:27867, 0306J2L3DV, (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol, ALL-TRANS-ANTHERAXANTHIN A, C08579, DTXSID601015587, .beta.-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-, all-trans-, 25494-44-4, 5,6-epoxy-5,6-dihydro-beta,beta-carotene-3,3'-diol, .BETA.-CAROTENE-3,3'-DIOL, 5,6-EPOXY-5,6-DIHYDRO-, 5,6-EPOXY-5,6-DIHYDRO-.BETA.,.BETA.-CAROTENE-3,3'-DIOL, (3R,3'S,5'R,6'S)-5',6'-dihydro-5',6'-epoxy-beta,beta-carotene-3,3'-diol, .BETA.,.BETA.-CAROTENE-3,3'-DIOL, 5,6-EPOXY-5,6-DIHYDRO-, (3S,3'R,5R,6S)-, (1R,3S,6S)-6-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((4R)-4-HYDROXY-2,6,6-TRIMETHYLCYCLOHEXEN-1-YL)-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYL)-1,5,5-TRIMETHYL-7-OXABICYCLO(4.1.0)HEPTAN-3-OL, (1R,3S,6S)-6-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((R)-4-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAEN-1-YL)-1,5,5-TRIMETHYL-7-OXABICYCLO(4.1.0)HEPTAN-3-OL, Spectrum5_000366, SCHEMBL96300, BSPBio_003502, DTXCID601473838, CCG-38889, LMPR01070262, NCGC00178026-01, 1ST159339, Q572404, beta,beta-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-, BETA-CAROTENE-3,3'-DIOL, 5,6-EPOXY-5,6-DIHYDRO-, beta,beta-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro- (VAN), beta,beta-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-(VAN), BETA-CAROTENE-3,3'-DIOL, 5,6-EPOXY-5,6-DIHYDRO-, ALL-TRANS-, (3R,3'S,5'R,6'S)-5',6' -DIHYDRO-5',6'-EPOXY-.BETA.,.BETA.-CAROTENE-3,3'-DIOL, (3R,3'S,5'R,6'S)-5',6'-DIHYDRO-5',6'-EPOXY-.BETA.,.BETA.-CAROTENE-3,3'-DIOL, BETA,BETA-CAROTENE-3,3'-DIOL, 5,6-EPOXY-5,6-DIHYDRO-, (3S,3'R,5R,6S)-, QDL
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 53.0
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Scaffold Graph Level C(CCCCCCCCCC12CCCCC1C2)CCCCCCCCC1CCCCC1
Np Classifier Class Carotenoids (C40, β-β)
Deep Smiles C/C=CC=CC=CC=CC=CC=C[C@@]O[C@]3C)C[C@H]CC7C)C)))O))))))))/C)))))/C))))))/C=C/C=C/C=C/C=CC)C[C@H]CC6C)C)))O)))))))C
Heavy Atom Count 43.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C(CCCCCCCCCC12CCCCC1O2)CCCCCCCCC1CCCCC1
Classyfire Subclass Tetraterpenoids
Isotope Atom Count 0.0
Molecular Complexity 1330.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 4.0
Iupac Name (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
Prediction Hob 0.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 10.3
Gsk 4 400 Rule False
Molecular Formula C40H56O3
Scaffold Graph Node Bond Level C(=CC=CC=CC=CC=CC12CCCCC1O2)C=CC=CC=CC=CC1=CCCCC1
Prediction Swissadme 0.0
Inchi Key OFNSUWBAQRCHAV-OYQUVCAXSA-N
Silicos It Class Poorly soluble
Fcsp3 0.5
Logs -5.053
Rotatable Bond Count 10.0
Logd 4.014
Synonyms (9e)-antheraxanthin, antheraxanthin
Esol Class Poorly soluble
Functional Groups CC(C)=C(C)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]1(C)O[C@@]1(C)C, CO
Compound Name Antheraxanthin
Prediction Hob Swissadme 0.0
Exact Mass 584.423
Formal Charge 0.0
Monoisotopic Mass 584.423
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 584.9
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 9.0
Lipinski Rule Of 5 False
Esol -9.320487
Inchi InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1
Smiles CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C
Nring 3.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 9.0
Egan Rule False
Np Classifier Superclass Carotenoids (C40)

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Adunca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Adiantum Lunulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Alstonia Spatulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Ananas Comosus (Plant) Rel Props:Reference:ISBN:9780896038776
  • 5. Outgoing r'ship FOUND_IN to/from Annona Cornifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Artemisia Assoana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Astragalus Sempervirens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Calostephane Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Caragana Aurantiaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Carica Papaya (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788185042053
  • 12. Outgoing r'ship FOUND_IN to/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Citrus Reticulata (Plant) Rel Props:Reference:ISBN:9770972795006
  • 14. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/11355835
  • 15. Outgoing r'ship FOUND_IN to/from Cotyledon Secunda (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Delonix Regia (Plant) Rel Props:Reference:ISBN:9770972795006
  • 17. Outgoing r'ship FOUND_IN to/from Diospyros Kaki (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788185042053
  • 18. Outgoing r'ship FOUND_IN to/from Dumortiera Hirsuta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Eucalyptus Melliodora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Gnetum Latifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Goniothalamus Malayanus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Hedysarum Connatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Helipterum Roseum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Hibiscus Syriacus (Plant) Rel Props:Reference:ISBN:9788185042084
  • 25. Outgoing r'ship FOUND_IN to/from Hypericum Laricifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Ipomoea Digitata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Lepisorus Ussuriensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Lycopersicon Esculentum (Plant) Rel Props:Reference:ISBN:9780896038776
  • 29. Outgoing r'ship FOUND_IN to/from Lysimachia Mauritiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Marrubium Anisodon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Naucleopsis Ternstroemiiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Pastinaca Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Peltostigma Guatemalense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 34. Outgoing r'ship FOUND_IN to/from Phoebe Pittieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Premna Odorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Rauvolfia Vomitoria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 37. Outgoing r'ship FOUND_IN to/from Rosa Eglanteria (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/10725157
  • 38. Outgoing r'ship FOUND_IN to/from Rumex Maritimus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Salvia Syriaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 40. Outgoing r'ship FOUND_IN to/from Scutellaria Amoena (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 41. Outgoing r'ship FOUND_IN to/from Solanum Laxum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 42. Outgoing r'ship FOUND_IN to/from Swertia Franchetiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 43. Outgoing r'ship FOUND_IN to/from Tagetes Erecta (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 44. Outgoing r'ship FOUND_IN to/from Tecoma Stans (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 45. Outgoing r'ship FOUND_IN to/from Vaccinium Oxycoccos (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 46. Outgoing r'ship FOUND_IN to/from Viguiera Incana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 47. Outgoing r'ship FOUND_IN to/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 48. Outgoing r'ship FOUND_IN to/from Wikstroemia Retusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 49. Outgoing r'ship FOUND_IN to/from Zanthoxylum Tetraspermum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
Back to Browse   Back to Home