(+)-Chebulic acid

PubChem CID: 12302892

Connections displayed (default: 10).

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Compound Synonyms	(+)-Chebulic acid, SCHEMBL13430936, 2-(3-carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-4-yl)butanedioic acid
Topological Polar Surface Area	199.0
Hydrogen Bond Donor Count	6.0
Heavy Atom Count	25.0
Description	Isolated from Phyllanthus emblica (emblic). (+)-Chebulic acid is found in fruits.
Isotope Atom Count	0.0
Molecular Complexity	587.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	2-(3-carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl)butanedioic acid
Prediction Hob	0.0
Class	Carboxylic acids and derivatives
Xlogp	-0.8
Superclass	Organic acids and derivatives
Subclass	Tetracarboxylic acids and derivatives
Molecular Formula	C14H12O11
Prediction Swissadme	0.0
Inchi Key	COZMWVAACFYLBI-UHFFFAOYSA-N
Fcsp3	0.2857142857142857
Logs	-1.185
Rotatable Bond Count	5.0
Logd	0.175
Synonyms	(+)-Chebulate, 2-(3-Carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-4-yl)butanedioate
Compound Name	(+)-Chebulic acid
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	356.038
Formal Charge	0.0
Monoisotopic Mass	356.038
Hydrogen Bond Acceptor Count	11.0
Molecular Weight	356.24
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteropolycyclic compounds
Esol	-1.3859818000000002
Inchi	InChI=1S/C14H12O11/c15-5-1-4-7(10(19)9(5)18)8(3(12(20)21)2-6(16)17)11(13(22)23)25-14(4)24/h1,3,8,11,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23)
Smiles	C1=C2C(=C(C(=C1O)O)O)C(C(OC2=O)C(=O)O)C(CC(=O)O)C(=O)O
Nring	2.0
Defined Bond Stereocenter Count	0.0
Taxonomy Direct Parent	Tetracarboxylic acids and derivatives

1. Outgoing r'ship FOUND_IN to/from Phyllanthus Acidus (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Phyllanthus Acuminatus (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Phyllanthus Amarus (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Phyllanthus Asperulatus (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Phyllanthus Debilis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Phyllanthus Distichus (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Phyllanthus Emblica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
8. Outgoing r'ship FOUND_IN to/from Phyllanthus Flexuosus (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Phyllanthus Fraternus (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Phyllanthus Indofischeri (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Phyllanthus Kozhikodianus (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Phyllanthus Macraeki (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Phyllanthus Maderaspatensis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Phyllanthus Missionis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Phyllanthus Muellerianus (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Phyllanthus Mukherjeeanus (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Phyllanthus Multiflorus (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Phyllanthus Niruri (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Phyllanthus Oligospermus (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Phyllanthus Polyphyllus (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Phyllanthus Reticulatus (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Phyllanthus Rhamnoides (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Phyllanthus Rheedii (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Phyllanthus Simplex (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Phyllanthus Tenellus (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Phyllanthus Urinaria (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Phyllanthus Virgatus (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Phyllanthus Wightianus (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Terminalia Alata (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Terminalia Arjuna (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Terminalia Bellerica (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Terminalia Bellirica (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Terminalia Bialata (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Terminalia Brachystemma (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Terminalia Calamansanay (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Terminalia Catappa (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
38. Outgoing r'ship FOUND_IN to/from Terminalia Citrina (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Terminalia Coriacea (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Terminalia Crenulata (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Terminalia Elliptica (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Terminalia Macroptera (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Terminalia Myriocarpa (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Terminalia Pallida (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Terminalia Paniculata (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Terminalia Procera (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Terminalia Tomentosa (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Terminalia Travancorensis (Plant) Rel Props:Reference:

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(+)-Chebulic acid

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Phytochemical Properties

Associated Connections 48

Plant Connections 48