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Tanshinone I

PubChem CID: 114917

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Compound Synonyms Tanshinone I, 568-73-0, Tanshinone A, Tanshinon I, Tanshinone, 1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione, Tanshinone-I, UNII-03UUH3J385, 03UUH3J385, 1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dione, MFCD00210563, 1,6-Dimethyl-phenanthro[1,2-b]furan-10,11-dione, Phenanthro[1,2-b]furan-10,11-dione, 1,6-dimethyl-, MLS000697676, 1,6-Dimethylphenanthro(1,2-b)furan-10,11-dione, Phenanthro(1,2-b)furan-10,11-dione, 1,6-Dimethyl-, SMR000445578, 1,6-DIMETHYL-PHENANTHRO(1,2-B)FURAN-10,11-DIONE, TanshinoneI, Tanshinquinone I, C18H12O3, Tanshinone I?, Tanshinone I,(S), Tanshinone I (Standard), MLS006011773, SCHEMBL244391, 1,6-dimethylnaphtho[1,2-g]benzofuran-10,11-dione, CHEMBL363535, cid_114917, AIGAZQPHXLWMOJ-UHFFFAOYSA-, BDBM51317, HY-N0134R, DTXSID90972247, Tanshinone I, analytical standard, CHEBI:149906, HMS2222J14, HMS3656A11, Tanshinone I, >=98% (HPLC), BCP28292, HY-N0134, BBL010133, s2364, STK801472, AKOS005613012, AC-7999, CCG-267206, FT09979, NCGC00247624-01, NCGC00247624-02, NCGC00247624-03, NCGC00247624-05, AS-68049, DB-052982, SW219821-1, Tanshinon I, Tanshinone A, Tanshinquinone I, TANSHINONE I (CONSTITUENT OF CHINESE SALVIA), 1,6-dimethylnaphtho[1,2-g]benzofuran-10,11-quinone, 1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione #, BRD-K34073885-001-07-7, BRD-K34073885-001-09-3, Q27247588, TANSHINONE I (CONSTITUENT OF CHINESE SALVIA) [DSC], 1,6-dimethyl-10H,11H-phenanthro[1,2-b]furan-10,11-dione, 54693-68-4, InChI=1/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3, Phenanthro[1,2-b]furan-10,11-dione, 1,6-dimethyl-, 1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione, Tanshinon I, Tanshinone A, Tanshinone I
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 47.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1C(C)C2C3CCCCC3CCC2C2CCCC12
Np Classifier Class Abietane diterpenoids, Furanoabietane diterpenoids
Deep Smiles Cccoc-ccC=O)C=O)c96)))cccccc6cc%10)))C
Heavy Atom Count 21.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level OC1C(O)C2C3CCCCC3CCC2C2OCCC12
Classyfire Subclass Diterpenoids
Isotope Atom Count 0.0
Molecular Complexity 471.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q99814, n.a., P08183, Q9NUW8, P10636, Q962Y6, Q194T2, O97447, P51450, P54132, P10520, P06746, O75164, P04637, Q96KQ7, Q9UIF8, Q96QE3, P11473, P83916, O89049, Q9UNA4, P39748, Q9Y253, Q9UBT6, P08659, O75496, Q99700, P38398, P63092, Q13526, P01215, P0C6U8, Q9YQ12, O14746, P07943, O00748, P22303, P23141, Q13148, P29350, Q06124, O94782, P53350, O95398, Q15022, Q99685, P0DTD1
Iupac Name 1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dione
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Target Id NPT50, NPT51, NPT58, NPT59, NPT203, NPT166, NPT205, NPT206
Xlogp 3.7
Gsk 4 400 Rule False
Molecular Formula C18H12O3
Scaffold Graph Node Bond Level O=C1C(=O)c2c(ccc3ccccc23)-c2occc21
Prediction Swissadme 0.0
Inchi Key AIGAZQPHXLWMOJ-UHFFFAOYSA-N
Silicos It Class Poorly soluble
Fcsp3 0.1111111111111111
Logs -6.828
Rotatable Bond Count 0.0
Logd 3.34
Synonyms tanshinone i
Esol Class Moderately soluble
Functional Groups cC(=O)C(c)=O, coc
Compound Name Tanshinone I
Prediction Hob Swissadme 0.0
Exact Mass 276.079
Formal Charge 0.0
Monoisotopic Mass 276.079
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 276.3
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -4.406275628571429
Inchi InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3
Smiles CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C
Nring 4.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Diterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Agathosma Thymifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Amaranthus Hybr (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Amentotaxus Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Angelica Decursiva (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Artemisia Siversiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Asphodeline Tenuior (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Bothriocline Longipes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Camptothecium Lutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Combretum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Deguelia Hatschbachii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Delphinium Cyphoplectrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Dioscorea Communis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Euphorbia Retusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Euphorbia Sancta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Glycine Falcata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Triphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Iris Hoogiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Metzgeria Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Notholaena Dealbata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 21. Outgoing r'ship FOUND_IN to/from Peucedanum Praeruptorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Picradeniopsis Pringlei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Prunella Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Salvia Bowleyana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Salvia Bulleyana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Salvia Castanea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 27. Outgoing r'ship FOUND_IN to/from Salvia Digitaloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Salvia Flava (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Salvia Karabachensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Salvia Prionitis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Salvia Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 33. Outgoing r'ship FOUND_IN to/from Salvia Przewalskll (Plant) Rel Props:Source_db:npass_chem_all
  • 34. Outgoing r'ship FOUND_IN to/from Salvia Sclarea (Plant) Rel Props:Source_db:npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Salvia Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 36. Outgoing r'ship FOUND_IN to/from Salvia Trijuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 37. Outgoing r'ship FOUND_IN to/from Salvia Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 38. Outgoing r'ship FOUND_IN to/from Senecio Madagascariensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Stauntonia Obovatifoliola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 40. Outgoing r'ship FOUND_IN to/from Uvaria Klaineana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 41. Outgoing r'ship FOUND_IN to/from Veronicastrum Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 42. Outgoing r'ship FOUND_IN to/from Viburnum Sieboldi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 43. Outgoing r'ship FOUND_IN to/from Vicia Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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