Crotonosine
PubChem CID: 12304151
Connections displayed (default: 10).
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| Compound Synonyms | Crotonosine, Spiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-5'-hydroxy-6'-methoxy-, (R)-, (4R)-10-hydroxy-11-methoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one, (4R)-10-hydroxy-11-methoxyspiro(5-azatricyclo(6.3.1.04,12)dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene)-1'-one, Spiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one, 2',3',8',8'a-tetrahydro-5'-hydroxy-6'-methoxy-, (R)- |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 496.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4R)-10-hydroxy-11-methoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C17H17NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BYJAWHGHAOZTGW-GFCCVEGCSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -1.546 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.063 |
| Compound Name | Crotonosine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 283.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 283.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 283.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8445559714285715 |
| Inchi | InChI=1S/C17H17NO3/c1-21-16-13(20)8-10-4-7-18-12-9-17(15(16)14(10)12)5-2-11(19)3-6-17/h2-3,5-6,8,12,18,20H,4,7,9H2,1H3/t12-/m1/s1 |
| Smiles | COC1=C(C=C2CCN[C@H]3C2=C1C4(C3)C=CC(=O)C=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Craibiodendron Yunnanense (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Daphniphyllum Angustifolium (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Daphniphyllum Calycinum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Daphniphyllum Macropodum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Daphniphyllum Neilgherrense (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Daphniphyllum Paxianum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Daphniphyllum Subverticillatum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Delphinium Yunnanense (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Fraxinus Angustifolia (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Fraxinus Bungeana (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Fraxinus Chinensis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Fraxinus Excelsior (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Fraxinus Floribunda (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Fraxinus Griffithii (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Fraxinus Hookeri (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Fraxinus Insularis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Fraxinus Japonica (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Fraxinus Mandshurica (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Fraxinus Ornus (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Fraxinus Paxiana (Plant) Rel Props:Reference: - 21. Outgoing r'ship
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FOUND_INto/from Fraxinus Stylosa (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Fraxinus Szaboana (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Fritillaria Anhuiensis (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Fritillaria Camtschatcensis (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Fritillaria Cirrhosa (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Fritillaria Delavayi (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Fritillaria Ebeiensis (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Fritillaria Hupehensis (Plant) Rel Props:Reference: - 30. Outgoing r'ship
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FOUND_INto/from Fritillaria Ningguoensis (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Fritillaria Pallidiflora (Plant) Rel Props:Reference: - 34. Outgoing r'ship
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FOUND_INto/from Fritillaria Przewalskii (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Fritillaria Puqiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 38. Outgoing r'ship
FOUND_INto/from Fritillaria Siechuanica (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Fritillaria Stenanthera (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Fritillaria Taipaiensis (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Fritillaria Thunbergii (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Fritillaria Unibracteata (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Fritillaria Ussuriensis (Plant) Rel Props:Reference: - 44. Outgoing r'ship
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FOUND_INto/from Fritillaria Walujewii (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Hedychium Yunnanense (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Magnolia Acuminata (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Magnolia Biloba (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Magnolia Biondii (Plant) Rel Props:Reference: - 50. Outgoing r'ship
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FOUND_INto/from Magnolia Coco (Plant) Rel Props:Reference: - 53. Outgoing r'ship
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FOUND_INto/from Magnolia Doltsopa (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Magnolia Fargesii (Plant) Rel Props:Reference: - 56. Outgoing r'ship
FOUND_INto/from Magnolia Figo (Plant) Rel Props:Reference: - 57. Outgoing r'ship
FOUND_INto/from Magnolia Fraseri (Plant) Rel Props:Reference: - 58. Outgoing r'ship
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FOUND_INto/from Magnolia Kingii (Plant) Rel Props:Reference: - 61. Outgoing r'ship
FOUND_INto/from Magnolia Kobus (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Magnolia Lanuginosa (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Magnolia Lilifera (Plant) Rel Props:Reference: - 64. Outgoing r'ship
FOUND_INto/from Magnolia Liliflora (Plant) Rel Props:Reference: - 65. Outgoing r'ship
FOUND_INto/from Magnolia Liliiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 66. Outgoing r'ship
FOUND_INto/from Magnolia Montana (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Magnolia Mutabilis (Plant) Rel Props:Reference: - 68. Outgoing r'ship
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FOUND_INto/from Swertia Calycina (Plant) Rel Props:Reference: - 83. Outgoing r'ship
FOUND_INto/from Swertia Chinensis (Plant) Rel Props:Reference: - 84. Outgoing r'ship
FOUND_INto/from Swertia Chirata (Plant) Rel Props:Reference: - 85. Outgoing r'ship
FOUND_INto/from Swertia Chirayita (Plant) Rel Props:Reference: - 86. Outgoing r'ship
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FOUND_INto/from Swertia Cordata (Plant) Rel Props:Reference: - 89. Outgoing r'ship
FOUND_INto/from Swertia Corymbosa (Plant) Rel Props:Reference: - 90. Outgoing r'ship
FOUND_INto/from Swertia Decora (Plant) Rel Props:Reference: - 91. Outgoing r'ship
FOUND_INto/from Swertia Decussata (Plant) Rel Props:Reference: - 92. Outgoing r'ship
FOUND_INto/from Swertia Delavayi (Plant) Rel Props:Reference: - 93. Outgoing r'ship
FOUND_INto/from Swertia Densiflora (Plant) Rel Props:Reference: - 94. Outgoing r'ship
FOUND_INto/from Swertia Dilatata (Plant) Rel Props:Reference: - 95. Outgoing r'ship
FOUND_INto/from Swertia Erythrosticta (Plant) Rel Props:Reference: - 96. Outgoing r'ship
FOUND_INto/from Swertia Fasciculata (Plant) Rel Props:Reference: - 97. Outgoing r'ship
FOUND_INto/from Swertia Franchetiana (Plant) Rel Props:Reference: - 98. Outgoing r'ship
FOUND_INto/from Swertia Hickinii (Plant) Rel Props:Reference: - 99. Outgoing r'ship
FOUND_INto/from Swertia Japonica (Plant) Rel Props:Reference: - 100. Outgoing r'ship
FOUND_INto/from Swertia Kouitchensis (Plant) Rel Props:Reference: - 101. Outgoing r'ship
FOUND_INto/from Swertia Lawii (Plant) Rel Props:Reference: - 102. Outgoing r'ship
FOUND_INto/from Swertia Leduci (Plant) Rel Props:Reference: - 103. Outgoing r'ship
FOUND_INto/from Swertia Leducii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 104. Outgoing r'ship
FOUND_INto/from Swertia Lloydioides (Plant) Rel Props:Reference: - 105. Outgoing r'ship
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FOUND_INto/from Swertia Randainensis (Plant) Rel Props:Reference: - 120. Outgoing r'ship
FOUND_INto/from Swertia Spaciosa (Plant) Rel Props:Reference: - 121. Outgoing r'ship
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FOUND_INto/from Swertia Thomsonii (Plant) Rel Props:Reference: - 124. Outgoing r'ship
FOUND_INto/from Swertia Tosaensis (Plant) Rel Props:Reference: