(1R,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

PubChem CID: 15901362

Connections displayed (default: 10).

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Compound Synonyms	3-Feruloylquinic acid, 3-O-Feruloylquinic acid, 1899-29-2, rel-(1R,3S,4S,5S)-1,3,4-Trihydroxy-5-((3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)cyclohexane-1-carboxylic acid, (1R,3S,4S,5S)-1,3,4-trihydroxy-5-((E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl)oxycyclohexane-1-carboxylic acid, (1R,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid, HY-N6599, AKOS040760217, MS-25894, PD166564, CS-0034327, 826-200-5
Topological Polar Surface Area	154.0
Hydrogen Bond Donor Count	5.0
Heavy Atom Count	26.0
Isotope Atom Count	0.0
Molecular Complexity	548.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(1R,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
Prediction Hob	0.0
Xlogp	-0.1
Molecular Formula	C17H20O9
Prediction Swissadme	0.0
Inchi Key	RAGZUCNPTLULOL-LWOZFZEPSA-N
Fcsp3	0.4117647058823529
Logs	-1.722
Rotatable Bond Count	6.0
Logd	0.184
Compound Name	(1R,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
Prediction Hob Swissadme	0.0
Exact Mass	368.111
Formal Charge	0.0
Monoisotopic Mass	368.111
Hydrogen Bond Acceptor Count	9.0
Molecular Weight	368.3
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	1.0
Esol	-1.8354648307692312
Inchi	InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1
Smiles	COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2C[C@](C[C@@H]([C@@H]2O)O)(C(=O)O)O)O
Nring	2.0
Defined Bond Stereocenter Count	1.0

1. Outgoing r'ship FOUND_IN to/from Arisarum Vulgare (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Canarium Vulgare (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Cichorium Endivia (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Cichorium Glandulosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
5. Outgoing r'ship FOUND_IN to/from Cichorium Intybus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
6. Outgoing r'ship FOUND_IN to/from Clerodendron Glandulosum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Clerodendrum Glandulosum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Clinopodium Vulgare (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Echium Vulgare (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Foeniculum Capillaceum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all
12. Outgoing r'ship FOUND_IN to/from Helenium Amarum (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Helenium Arizonicum (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Helenium Aromaticum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Helenium Autumnale (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Helenium Bigelovii (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Helenium Elegans (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Helenium Integrifolium (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Helenium Mexicanum (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Helenium Microcephalum (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Helenium Puberulum (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Helenium Quadridentatum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Helenium Tenuifolium (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Helenium Virginicum (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Hordeum Vulgare (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Inula Britannica (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Inula Cappa (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Inula Cuspidata (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Inula Eupatorioides (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Inula Falconeri (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Inula Grandis (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Inula Grantioides (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
34. Outgoing r'ship FOUND_IN to/from Inula Hupehensis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Inula Japonica (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Inula Magnifica (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Inula Nervosa (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Inula Obtusifolia (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Inula Racemosa (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Inula Rhizocephala (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Inula Royleana (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Inula Salsoloides (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Inula Thapsoides (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Leucanthemum Vulgare (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Ligustrum Vulgare (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Marrubium Vulgare (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Origanum Vulgare (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Otholobium Glandulosum (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Polypodium Vulgare (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Sorghum Vulgare (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Tanacetum Vulgare (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Tripolium Vulgare (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Triticum Vulgare (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Trixis Inula (Plant) Rel Props:Reference:

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(1R,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

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Phytochemical Properties

Associated Connections 54

Plant Connections 54