7alpha-O-Methylmorroniside

PubChem CID: 71451245

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL2152454, 119943-45-2, 7alpha-O-Methylmorroniside, 7??-O-Methylmorroniside, BDBM50279547, AKOS040763371, F94033
Topological Polar Surface Area	153.0
Hydrogen Bond Donor Count	4.0
Heavy Atom Count	29.0
Isotope Atom Count	0.0
Molecular Complexity	611.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	10.0
Uniprot Id	n.a., P40763
Iupac Name	methyl (1S,3S,4aS,8S,8aS)-3-methoxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate
Prediction Hob	1.0
Target Id	NPT38
Xlogp	-1.3
Molecular Formula	C18H28O11
Prediction Swissadme	0.0
Inchi Key	IZODPOCIKVLNIL-BJTCBHOJSA-N
Fcsp3	0.8333333333333334
Logs	-1.004
Rotatable Bond Count	6.0
Logd	0.563
Compound Name	7alpha-O-Methylmorroniside
Prediction Hob Swissadme	0.0
Exact Mass	420.163
Formal Charge	0.0
Monoisotopic Mass	420.163
Hydrogen Bond Acceptor Count	11.0
Molecular Weight	420.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	10.0
Total Bond Stereocenter Count	0.0
Esol	-1.256748200000001
Inchi	InChI=1S/C18H28O11/c1-7-12-8(4-11(24-2)27-7)9(16(23)25-3)6-26-17(12)29-18-15(22)14(21)13(20)10(5-19)28-18/h6-8,10-15,17-22H,4-5H2,1-3H3/t7-,8+,10+,11-,12+,13+,14-,15+,17-,18-/m0/s1
Smiles	C[C@H]1[C@@H]2[C@H](C[C@H](O1)OC)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC
Nring	3.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Althaea Officinalis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Althea Officinalis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Anchusa Officinalis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Angelica Officinalis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Asparagus Officinalis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Avcennia Officinalis (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Avicennia Officinalis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Betonica Officinalis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Bistorta Officinalis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Boraga Officinalis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Borago Officinalis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Breynia Officinalis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Buddleja Officinalis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Calendula Officinalis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Cinchona Officinalis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Cochlearia Officinalis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Cornus Capitata (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Cornus Controversa (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Cornus Kousa (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Cornus Macrophylla (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Cornus Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
22. Outgoing r'ship FOUND_IN to/from Cornus Sanguinea (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Cornus Walteri (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Cubela Officinalis (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Dicksonia Scabra (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Euodia Officinalis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Euphrasia Officinalis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Evodia Rutaecarpa (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Fumaria Officinalis (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Galega Officinalis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Galipea Officinalis (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Gentiana Scabra (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Gratiola Officinalis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Guizotia Scabra (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Gynochthodes Officinalis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Hyssopus Officinalis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Kopsia Officinalis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Laricifomes Officinalis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Lavandula Officinalis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Magnolia Officinalis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Mandragora Officinalis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Melilotus Officinalis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Melissa Officinalis (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Mosla Scabra (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Myristica Officinalis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Nauclea Officinalis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Paeonia Officinalis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Patrinia Scabiosifolia (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Patrinia Scabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
50. Outgoing r'ship FOUND_IN to/from Patrinia Villosa (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Petasites Officinalis (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Pimenta Officinalis (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Pothos Officinalis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Pterocarpus Officinalis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Richardia Scabra (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Rosmarinus Officinalis (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Sanguisorba Officinalis (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Saponaria Officinalis (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Sassafras Officinalis (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Scindapsus Officinalis (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Styrax Officinalis (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Trinia Scabra (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Valeriana Officinalis (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Verbena Officinalis (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Zehneria Scabra (Plant) Rel Props:Reference:

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7alpha-O-Methylmorroniside

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Phytochemical Properties

Associated Connections 66

Plant Connections 66