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Hydroxytanshinone

PubChem CID: 5318349

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Compound Synonyms Hydroxytanshinone IIA, Hydroxytanshinone, 18887-18-8, 9-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione, CHEBI:174236, DTXSID201314884, GLXC-16920, HY-N7177, AKOS040761854, FS-6988, DA-64333, CS-0103801, 9-hydroxy-1,6,6-trimethyl-7H,8H,9H-phenanthro[1,2-b]furan-10,11-dione, 1-Hydroxy-14,16-epoxy-20-nor-5(10),6,8,13,15-abietapentaene-11,12-dione, 9-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzouran-10,11-dione, 3-hydroxy-6,6,14-trimethyl-12-oxatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,7,9,11(15),13-pentaene-16,17-dione
Topological Polar Surface Area 67.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 23.0
Description Minor constituent of Salvia sclarea (clary sage). Hydroxytanshinone is found in tea, alcoholic beverages, and herbs and spices.
Isotope Atom Count 0.0
Molecular Complexity 539.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 9-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
Prediction Hob 1.0
Class Prenol lipids
Xlogp 2.9
Superclass Lipids and lipid-like molecules
Subclass Diterpenoids
Molecular Formula C19H18O4
Prediction Swissadme 0.0
Inchi Key UPCWCCRFMPIOAP-UHFFFAOYSA-N
Fcsp3 0.3684210526315789
Logs -4.32
Rotatable Bond Count 0.0
State Solid
Logd 2.679
Synonyms 1-Hydroxy-14,16-epoxy-20-nor-5(10),6,8,13,15-abietapentaene-11,12-dione, Hydroxytanshinone
Compound Name Hydroxytanshinone
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 310.121
Formal Charge 0.0
Monoisotopic Mass 310.121
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 310.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -3.9135768434782614
Inchi InChI=1S/C19H18O4/c1-9-8-23-18-10-4-5-11-15(12(20)6-7-19(11,2)3)14(10)17(22)16(21)13(9)18/h4-5,8,12,20H,6-7H2,1-3H3
Smiles CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C(CCC4(C)C)O
Nring 4.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Tanshinones, isotanshinones, and derivatives

  • 1. Outgoing r'ship FOUND_IN to/from Melodinus Balansae (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Melodinus Celastroides (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Melodinus Cochinchinensis (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Melodinus Hemsleyanus (Plant) Rel Props:Source_db:npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Melodinus Tenuicaudatus (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Salvia Aegyptiaca (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Salvia Bowleyana (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Salvia Broussonetii (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Salvia Bulleyana (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Salvia Cana (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Salvia Canariensis (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Salvia Carduacea (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Salvia Castanea (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Salvia Cilicica (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Salvia Clevelandii (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Salvia Coccinea (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Salvia Coulteri (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Salvia Cyanescens (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Salvia Dichroa (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Salvia Digitaloides (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Salvia Divaricata (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Salvia Dorrii (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Salvia Flava (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Salvia Glutinosa (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Salvia Greggii (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Salvia Hians (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Salvia Hispanica (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Salvia Horminum (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Salvia Hydrangea (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Salvia Karabachensis (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Salvia Lanigera (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Salvia Lasiantha (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Salvia Lavandulifolia (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Salvia Lavanduloides (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Salvia Leucantha (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Salvia Lineata (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Salvia Mellifera (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Salvia Microstegia (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 40. Outgoing r'ship FOUND_IN to/from Salvia Miniata (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Salvia Mirzayanii (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Salvia Moorcroftiana (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Salvia Mukerjeei (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Salvia Munzii (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Salvia Nemorosa (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Salvia Nubicola (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Salvia Oxyodon (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Salvia Pachyphylla (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Salvia Palaestina (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Salvia Parryi (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Salvia Patens (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Salvia Pisidica (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Salvia Plebeia (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Salvia Polystachya (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Salvia Pratensis (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Salvia Prionitis (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Salvia Przewalskii (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Salvia Przewalskll (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Salvia Roborowskii (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Salvia Scalarea (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Salvia Sclarea (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Salvia Sessei (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Salvia Sinica (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Salvia Spinosa (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Salvia Splendens (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Salvia Spp (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Salvia Staminea (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Salvia Syriaca (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Salvia Tomentosa (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Salvia Trijuga (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Salvia Urolepis (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Salvia Verbenaca (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Salvia Virgata (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Salvia Viridis (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Salvia Wiedemannii (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Salvia Xalapensis (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Salvia Yosgadensis (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Salvia Yunnanensis (Plant) Rel Props:Reference:
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