Arisanschinin K
PubChem CID: 332607
Connections displayed (default: 10).
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| Compound Synonyms | Arisanschinin K, SCHISANTERIN A, 129445-43-8, NSC330516, Schisantherin, Schisantherin A,(S), CHEMBL1704343, UFCGDBKFOKKVAC-UHFFFAOYSA-N, HMS3885I10, EFA44543, Schisantherin A, >=98% (HPLC), s3880, AKOS040760696, CCG-208608, NSC-330516, NCGC00163664-01, LS-15282, NCI60_002892, SR-05000002172, SR-05000002172-2, 6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-5-yl benzoate #, Benzo[3,2-f][1,3]benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 5-benzoate, stereoisomer |
|---|---|
| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 39.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 833.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q92830 |
| Iupac Name | (9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl) benzoate |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C30H32O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UFCGDBKFOKKVAC-UHFFFAOYSA-N |
| Fcsp3 | 0.3666666666666666 |
| Logs | -5.109 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.589 |
| Compound Name | Arisanschinin K |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 536.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 536.205 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 536.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.208915861538464 |
| Inchi | InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3 |
| Smiles | CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Abelia Chinensis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Actinidia Chinensis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Aesculus Chinensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Albizia Chinensis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Albizzia Chinensis (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Alpinia Chinensis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Anthocephalus Chinensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Aralia Chinensis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Artemisia Chinensis (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Arundina Chinensis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Astilbe Chinensis (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Aucuba Chinensis (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Belamcanda Chinensis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Blumea Chinensis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Boerhavia Chinensis (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Breonia Chinensis (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Coptis Chinensis (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Cryptocarya Chinensis (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Cuscuta Chinensis (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Desmos Chinensis (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Dianthus Chinensis (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Dicliptera Chinensis (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Eremurus Chinensis (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Fraxinus Chinensis (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Hydrangea Chinensis (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Impatiens Chinensis (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Inula Britannica (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Iris Lactea (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Ixeris Chinensis (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Ixora Chinensis (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Juniperus Chinensis (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Klaseopsis Chinensis (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Listea Chinensis (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Litchi Chinensis (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Lobelia Chinensis (Plant) Rel Props:Reference: - 39. Outgoing r'ship
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FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Odontosoria Chinensis (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Osbeckia Chinensis (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Paederia Chinensis (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Persicaria Chinensis (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Pistacia Chinensis (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Polygala Chinensis (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Potentilla Chinensis (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Pothos Chinensis (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Pulsatilla Chinensis (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Rhus Chinensis (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Rosa Chinensis (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Salacia Chinensis (Plant) Rel Props:Reference: - 53. Outgoing r'ship
FOUND_INto/from Saururus Chinensis (Plant) Rel Props:Reference: - 54. Outgoing r'ship
FOUND_INto/from Schisandra Arisanensis (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 56. Outgoing r'ship
FOUND_INto/from Schisandra Glaucescens (Plant) Rel Props:Reference: - 57. Outgoing r'ship
FOUND_INto/from Schisandra Grandiflora (Plant) Rel Props:Reference: - 58. Outgoing r'ship
FOUND_INto/from Schisandra Henryi (Plant) Rel Props:Reference: - 59. Outgoing r'ship
FOUND_INto/from Schisandra Lancifolia (Plant) Rel Props:Reference: - 60. Outgoing r'ship
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FOUND_INto/from Schisandra Propinqua (Plant) Rel Props:Reference: - 64. Outgoing r'ship
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FOUND_INto/from Schisandra Sphenanthera (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Scolopia Chinensis (Plant) Rel Props:Reference: - 68. Outgoing r'ship
FOUND_INto/from Senecio Chinensis (Plant) Rel Props:Reference: - 69. Outgoing r'ship
FOUND_INto/from Simmondsia Chinensis (Plant) Rel Props:Reference: - 70. Outgoing r'ship
FOUND_INto/from Siphonostegia Chinensis (Plant) Rel Props:Reference: - 71. Outgoing r'ship
FOUND_INto/from Solidago Chinensis (Plant) Rel Props:Reference: - 72. Outgoing r'ship
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FOUND_INto/from Stachys Chinensis (Plant) Rel Props:Reference: - 74. Outgoing r'ship
FOUND_INto/from Stauntonia Chinensis (Plant) Rel Props:Reference: - 75. Outgoing r'ship
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FOUND_INto/from Thermopsis Chinensis (Plant) Rel Props:Reference: - 81. Outgoing r'ship
FOUND_INto/from Trollius Chinensis (Plant) Rel Props:Reference: - 82. Outgoing r'ship
FOUND_INto/from Tsuga Chinensis (Plant) Rel Props:Reference: - 83. Outgoing r'ship
FOUND_INto/from Tupistra Chinensis (Plant) Rel Props:Reference: - 84. Outgoing r'ship
FOUND_INto/from Wedelia Chinensis (Plant) Rel Props:Reference: