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Agathisflavone

PubChem CID: 5281599

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Compound Synonyms Agathisflavone, 28441-98-7, 6,8''-Biapigenin, 7''-methyl-agathisflavone, CHEBI:2512, 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, DTXSID30182641, (6,8'-Bi-4H-1-benzopyran)-4,4'-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-(6,8'-bi-4H-1-benzopyran)-4,4'-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-6,8'-bichromene-4,4'-dione, 8-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, CHEMBL65320, SCHEMBL616142, DTXCID70105132, BDBM50478418, LMPK12040008, AKOS040745510, HY-118383, CS-0065801, C10017, Q27105695, 5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-4H,4'H-[6,8'-bichromene]-4,4'-dione, 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, NCGC00384551-01!8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 174.0
Hydrogen Bond Donor Count 6.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CC(C2CCCCC2)CC2CCC(C3CCCC4C(C)CC(C5CCCCC5)CC43)CC12
Np Classifier Class Flavones
Deep Smiles Occcccc6))ccc=O)cco6)cccc6O))ccO)cccc6occc6=O)))cccccc6))O)))))))))O))))))O
Heavy Atom Count 40.0
Classyfire Class Flavonoids
Scaffold Graph Node Level OC1CC(C2CCCCC2)OC2CCC(C3CCCC4C(O)CC(C5CCCCC5)OC43)CC12
Classyfire Subclass Biflavonoids and polyflavonoids
Isotope Atom Count 0.0
Molecular Complexity 1040.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q72547, P35520, P32929
Iupac Name 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT4717
Xlogp 5.0
Gsk 4 400 Rule False
Molecular Formula C30H18O10
Scaffold Graph Node Bond Level O=c1cc(-c2ccccc2)oc2ccc(-c3cccc4c(=O)cc(-c5ccccc5)oc34)cc12
Prediction Swissadme 0.0
Inchi Key BACLASYRJRZXMY-UHFFFAOYSA-N
Silicos It Class Poorly soluble
Fcsp3 0.0
Logs -4.31
Rotatable Bond Count 3.0
Logd 2.345
Synonyms agasthiflavone, agathisflavone
Esol Class Poorly soluble
Functional Groups c=O, cO, coc
Compound Name Agathisflavone
Prediction Hob Swissadme 0.0
Exact Mass 538.09
Formal Charge 0.0
Monoisotopic Mass 538.09
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 538.5
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 False
Esol -5.7522768000000015
Inchi InChI=1S/C30H18O10/c31-15-5-1-13(2-6-15)22-11-20(36)26-24(39-22)12-21(37)27(29(26)38)28-18(34)9-17(33)25-19(35)10-23(40-30(25)28)14-3-7-16(32)8-4-14/h1-12,31-34,37-38H
Smiles C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)O)O
Nring 6.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Flavonoids

  • 1. Outgoing r'ship FOUND_IN to/from Adonis Amurensis (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Agathis Dammara (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Agathis Lanceolata (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Agathis Macrophylla (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Anacardium Occidentale (Plant) Rel Props:Reference:ISBN:9780896038776
  • 6. Outgoing r'ship FOUND_IN to/from Araucaria Angustifolia (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Araucaria Araucana (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Araucaria Bidwillii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Araucaria Columnaris (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Araucaria Cunninghamii (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Arnica Viscosa (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Aronia Arbutifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Barosma Serratifolia (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Bauhinia Vahlii (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042053
  • 15. Outgoing r'ship FOUND_IN to/from Bellardia Viscosa (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Berberis Amurensis (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Blumea Viscosa (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Brachyglottis Bidwillii (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Brucea Javanica (Plant) Rel Props:Reference:ISBN:9788172363093; ISBN:9788185042138
  • 20. Outgoing r'ship FOUND_IN to/from Canarium Denticulatum (Plant) Rel Props:Reference:ISBN:9788185042145
  • 21. Outgoing r'ship FOUND_IN to/from Centaurea Arbutifolia (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Cleome Viscosa (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Clibadium Mexiae (Plant) Rel Props:Source_db:npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Clibadium Microcephalum (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Clibadium Pentaneuron (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Corydalis Ambigua (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Corynandra Viscosa (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Discaria Crenata (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Discaria Serratifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Dodonaea Viscosa (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Eragrostis Viscosa (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Garcinia Xanthochymus (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172362300
  • 33. Outgoing r'ship FOUND_IN to/from Juniperus Virginiana (Plant) Rel Props:Reference:ISBN:9770972795006
  • 34. Outgoing r'ship FOUND_IN to/from Justicia Adhatoda (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Justicia Aurea (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Justicia Beddomei (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Justicia Betonica (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Justicia Bilvalvis (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Justicia Ciliata (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Justicia Diffusa (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Justicia Gendarussa (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Justicia Glauca (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Justicia Hayatai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 44. Outgoing r'ship FOUND_IN to/from Justicia Japonica (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Justicia Neck (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Justicia Neesii (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Justicia Paniculata (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Justicia Procumbens (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Justicia Prostrata (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Justicia Quinqueangularis (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Justicia Secunda (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Justicia Simplex (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Justicia Tranquebariensis (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Justicia Trinervia (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Lonicera Similis (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Maackia Amurensis (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Ononis Viscosa (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Photinia Serratifolia (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Potentilla Viscosa (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Premna Serratifolia (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Primula Viscosa (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Ptelea Viscosa (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Pteris Altissima (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Pteris Aquilina (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Pteris Australis (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Pteris Bella (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Pteris Biaurita (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Pteris Cretica (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Pteris Dactylina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 70. Outgoing r'ship FOUND_IN to/from Pteris Ensiformis (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Pteris Fauriei (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Pteris Glauca (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Pteris Inaequalis (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Pteris Japonica (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Pteris Kiuschiuensis (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Pteris Linearis (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Pteris Longipes (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Pteris Multifida (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Pteris Pacifica (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Pteris Pedata (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Pteris Plumbea (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Pteris Prolifera (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Pteris Radiata (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Pteris Semipinnata (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Pteris Spinulosa (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Pteris Vitata (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Pteris Vittata (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Pteris Wallichiana (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Pyrostegia Venusta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 90. Outgoing r'ship FOUND_IN to/from Rhus Chinensis (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Rhus Coriaria (Plant) Rel Props:Reference:ISBN:9788185042138
  • 92. Outgoing r'ship FOUND_IN to/from Rhus Javanica (Plant) Rel Props:Reference:
  • 93. Outgoing r'ship FOUND_IN to/from Rhus Lanceolata (Plant) Rel Props:Reference:
  • 94. Outgoing r'ship FOUND_IN to/from Rhus Mysorensis (Plant) Rel Props:Reference:
  • 95. Outgoing r'ship FOUND_IN to/from Rhus Parviflora (Plant) Rel Props:Reference:
  • 96. Outgoing r'ship FOUND_IN to/from Rhus Potaninii (Plant) Rel Props:Reference:
  • 97. Outgoing r'ship FOUND_IN to/from Rhus Punjabensis (Plant) Rel Props:Reference:ISBN:9788185042114
  • 98. Outgoing r'ship FOUND_IN to/from Rhus Semialata (Plant) Rel Props:Reference:
  • 99. Outgoing r'ship FOUND_IN to/from Rhus Succedanea (Plant) Rel Props:Reference:ISBN:9788172360818; ISBN:9788185042084
  • 100. Outgoing r'ship FOUND_IN to/from Rhus Sylvestris (Plant) Rel Props:Reference:
  • 101. Outgoing r'ship FOUND_IN to/from Rhus Typhina (Plant) Rel Props:Reference:
  • 102. Outgoing r'ship FOUND_IN to/from Rhus Verniciflua (Plant) Rel Props:Reference:
  • 103. Outgoing r'ship FOUND_IN to/from Rhus Vulgaris (Plant) Rel Props:Reference:
  • 104. Outgoing r'ship FOUND_IN to/from Saracha Viscosa (Plant) Rel Props:Reference:
  • 105. Outgoing r'ship FOUND_IN to/from Stemodia Viscosa (Plant) Rel Props:Reference:
  • 106. Outgoing r'ship FOUND_IN to/from Syringa Amurensis (Plant) Rel Props:Reference:
  • 107. Outgoing r'ship FOUND_IN to/from Valeriana Amurensis (Plant) Rel Props:Reference:
  • 108. Outgoing r'ship FOUND_IN to/from Vicia Amurensis (Plant) Rel Props:Reference:
  • 109. Outgoing r'ship FOUND_IN to/from Viscaria Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 110. Outgoing r'ship FOUND_IN to/from Vitis Amurensis (Plant) Rel Props:Reference:
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