Thunberginol D

PubChem CID: 188928

Connections displayed (default: 10).

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Compound Synonyms	Thunberginol D, 147517-07-5, JJX5KK3ZKU, 3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-3,4-dihydroisochromen-1-one, 1H-2-BENZOPYRAN-1-ONE, 3-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-6,8-DIHYDROXY-, 1H-2-BENZOPYRAN-1-ONE, 3-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-6,8-DIHYDROXY-, (+/-)-, 3-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-6,8-DIHYDROXY-1H-2-BENZOPYRAN-1-ONE, UNII-JJX5KK3ZKU, CHEMBL71702, DTXSID50933137, Q7798881
Topological Polar Surface Area	107.0
Hydrogen Bond Donor Count	4.0
Heavy Atom Count	21.0
Isotope Atom Count	0.0
Molecular Complexity	400.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	3-(3,4-dihydroxyphenyl)-6,8-dihydroxy-3,4-dihydroisochromen-1-one
Prediction Hob	1.0
Xlogp	2.5
Molecular Formula	C15H12O6
Prediction Swissadme	0.0
Inchi Key	NNFSGOSBNORREV-UHFFFAOYSA-N
Fcsp3	0.1333333333333333
Logs	-3.304
Rotatable Bond Count	1.0
Logd	2.124
Compound Name	Thunberginol D
Prediction Hob Swissadme	0.0
Exact Mass	288.063
Formal Charge	0.0
Monoisotopic Mass	288.063
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	288.25
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Esol	-3.540138142857143
Inchi	InChI=1S/C15H12O6/c16-9-3-8-5-13(7-1-2-10(17)11(18)4-7)21-15(20)14(8)12(19)6-9/h1-4,6,13,16-19H,5H2
Smiles	C1C(OC(=O)C2=C1C=C(C=C2O)O)C3=CC(=C(C=C3)O)O
Nring	3.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Achillea Macrophylla (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Agathis Macrophylla (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Alibertia Macrophylla (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Alstonia Macrophylla (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Boehmeria Macrophylla (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Callicarpa Macrophylla (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Chionanthus Macrophylla (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Chonemorpha Macrophylla (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Clethra Macrophylla (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Cornus Macrophylla (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Cunonia Macrophylla (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Eleocharis Dulcis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Flemingia Macrophylla (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Folium Digitalis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Garcinia Dulcis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Garcinia Macrophylla (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Gentiana Macrophylla (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Glycosmis Macrophylla (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Hovenia Dulcis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Hydrangea Arborescens (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Hydrangea Aspera (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Hydrangea Chinensis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Hydrangea Heteromalla (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Hydrangea Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
25. Outgoing r'ship FOUND_IN to/from Hydrangea Paniculata (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Hydrangea Serrata (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Hydrangea Umbellata (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Leea Macrophylla (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Ligularia Macrophylla (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Lippia Dulcis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Maesa Macrophylla (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Mitragyna Macrophylla (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Nicotiana Macrophylla (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Othonna Macrophylla (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Oxytropis Macrophylla (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Pentaclethra Macrophylla (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Primula Macrophylla (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Prunus Dulcis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Rabdosia Macrophylla (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Rosa Macrophylla (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Salvia Hydrangea (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Scoparia Dulcis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Smilax Macrophylla (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Spondias Dulcis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Swietenia Macrophylla (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Uncaria Macrophylla (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Uvaria Dulcis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Uvaria Macrophylla (Plant) Rel Props:Reference:

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Thunberginol D

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Phytochemical Properties

Associated Connections 48

Plant Connections 48