XK-469 free acid, (R)-

PubChem CID: 3246729

Connections displayed (default: 10).

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Compound Synonyms	XK-469 free acid, (R)-, NSC-698215, 157542-91-1, UNII-8VSJ573G09, 8VSJ573G09, Propanoic acid, 2-(4-((7-chloro-2-quinoxalinyl)oxy)phenoxy)-, (2R)-, NSC698215, (R)-xk-469 free acid, Propanoic acid, (+)-(R)-, R(+)xk469, CHEMBL1741037, SCHEMBL10261981, DTXSID80166279, XK-469R, NCI60_035159, Q27271093, (r)-2-(4-(7-chloro-2-quinoxalinyloxy)phenoxy)propanoic acid, (2R)-2-[4-[(7-Chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid
Topological Polar Surface Area	81.5
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	24.0
Isotope Atom Count	0.0
Molecular Complexity	431.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Uniprot Id	Q06278, n.a.
Iupac Name	(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
Prediction Hob	1.0
Xlogp	3.6
Molecular Formula	C17H13ClN2O4
Prediction Swissadme	0.0
Inchi Key	NUQZXROIVGBRGR-SNVBAGLBSA-N
Fcsp3	0.1176470588235294
Logs	-4.871
Rotatable Bond Count	5.0
Logd	2.527
Compound Name	XK-469 free acid, (R)-
Prediction Hob Swissadme	0.0
Exact Mass	344.056
Formal Charge	0.0
Monoisotopic Mass	344.056
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	344.7
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Esol	-4.402508133333333
Inchi	InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-14-7-2-11(18)8-15(14)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1
Smiles	C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl
Nring	3.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Aconitum Gigas (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
3. Outgoing r'ship FOUND_IN to/from Angelica Anomala (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Angelica Archangelica (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Angelica Cyclocarpa (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Angelica Dahurica (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Angelica Decursiva (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Angelica Furcijuga (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Angelica Genuflexa (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
11. Outgoing r'ship FOUND_IN to/from Angelica Glabra (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Angelica Glauca (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Angelica Hirsutiflora (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Angelica Keiskei (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Angelica Lucida (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Angelica Nubigena (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Angelica Officinalis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Angelica Pachycarpa (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Angelica Pubescens (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Angelica Saxatilis (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
23. Outgoing r'ship FOUND_IN to/from Angelica Sylvestris (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Angelica Taiwaniana (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Angelica Talwaniana (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Angelica Tarokoensis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Angelica Tenuissima (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Angelica Ursina (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Bretschneidera Sinensis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Cephalotaxus Sinensis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Chaenomeles Sinensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Cordia Sinensis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Cordyceps Sinensis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Cryptolepis Sinensis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Diphylleia Sinensis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Dolichos Sinensis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Entada Gigas (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Gleditsia Sinensis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Juglans Sinensis (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Miliusa Sinensis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Miscanthus Sinensis (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Neottia Sinensis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Nyssa Sinensis (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Pseudotsuga Sinensis (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Saccharum Sinensis (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Scopolia Sinensis (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Selaginella Sinensis (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Spiranthes Sinensis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:

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XK-469 free acid, (R)-

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Phytochemical Properties

Associated Connections 57

Plant Connections 57