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Madagascine

PubChem CID: 378693

Connections displayed (default: 10).
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Compound Synonyms Madagascine, NSC661745, 1,8-dihydroxy-3-methyl-6-(3-methylbut-2-enoxy)anthracene-9,10-dione, MADAGASCIN, 3-isopentenyloxyemodin, 1,8-Dihydroxy-3-methyl-6-((3-methyl-2-butenyl)oxy)anthra-9,10-quinone, CHEMBL1800811, SCHEMBL16226233, NSC-661745
Topological Polar Surface Area 83.8
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 564.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name 1,8-dihydroxy-3-methyl-6-(3-methylbut-2-enoxy)anthracene-9,10-dione
Prediction Hob 1.0
Xlogp 4.5
Molecular Formula C20H18O5
Prediction Swissadme 0.0
Inchi Key AIEGEPAELPMAPY-UHFFFAOYSA-N
Fcsp3 0.2
Logs -6.5
Rotatable Bond Count 3.0
Logd 3.644
Compound Name Madagascine
Prediction Hob Swissadme 0.0
Exact Mass 338.115
Formal Charge 0.0
Monoisotopic Mass 338.115
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 338.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.955225799999999
Inchi InChI=1S/C20H18O5/c1-10(2)4-5-25-12-8-14-18(16(22)9-12)20(24)17-13(19(14)23)6-11(3)7-15(17)21/h4,6-9,21-22H,5H2,1-3H3
Smiles CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OCC=C(C)C
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Aconitum Ferox (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Actaea Spicata (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Aloe (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Aloe Abyssinica (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Aloe Arborescens (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Aloe Ballyi (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Aloe Christianii (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Aloe Deltoideodonta (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Aloe Indica (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Aloe Littoralis (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Aloe Marlothii (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Aloe Microstigma (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Aloe Nobilis (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Aloe Perryi (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Aloe Ruspoliana (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Aloe Saponaria (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Aloe Socotrina (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Aloe Succotrina (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients
  • 24. Outgoing r'ship FOUND_IN to/from Aloe Vulgaris (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Amphorogyne Spicata (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Antiaris Africana (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Aralia Armata (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Aralia Cachemirica (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Aralia Chinensis (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Aralia Continentalis (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Aralia Cordata (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Aralia Dasyphylla (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Aralia Decaisneaa (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Aralia Elata (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Aralia Fargesii (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Aralia Hispida (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Aralia Montana (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Aralia Racemosa (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Aralia Subcapitata (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Aralia Taibaiensis (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Austrotaxus Spicata (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Canavalia Africana (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Cautleya Spicata (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Datura Ferox (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Engelhardtia Spicata (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Entada Africana (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Euryale Ferox (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Galenia Africana (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Garcinia Spicata (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Gentiana Spicata (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Indigofera Spicata (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Kigelia Africana (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Kiggelaria Africana (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Liatris Spicata (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Liriope Spicata (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Lobelia Alsinoides (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Lobelia Cardinalis (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Lobelia Chinensis (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Lobelia Hassleri (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Lobelia Inflata (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Lobelia Langeana (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Lobelia Leschenaultiana (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Lobelia Nicotianaefolia (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Lobelia Nicotianifolia (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Lobelia Nicotinaefolia (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Lobelia Pyramidalis (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Lobelia Sinoides (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Lobelia St (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Lobelia Syphilitica (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Mammea Africana (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Mentha Spicata (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Moullava Spicata (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Myrsine Africana (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Prosopis Africana (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Prunus Africana (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Quassia Africana (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Schenkia Spicata (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Solanum Ferox (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Stevia Berlandieri (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Symplocos Spicata (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Thymbra Spicata (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Uncaria Africana (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Wagatea Spicata (Plant) Rel Props:Reference:
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