ISOSCUTELLAREIN 8-O-beta-D-GLUCURONIDE 6''-METHYL ESTER

PubChem CID: 44566911

Connections displayed (default: 10).

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Compound Synonyms	GUK2P25QDV, UNII-GUK2P25QDV, Isoscutellarein 8-O-beta-D-glucuronide 6''-methyl ester, 636589-22-5, Methyl (2S,3S,4S,5R,6S)-6-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl)oxy)-3,4,5-trihydroxyoxane-2-carboxylate, beta-D-Glucopyranosiduronic acid, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl, methyl ester, CHEMBL467412, ISOSCUTELLAREIN 8-O-.BETA.-D-GLUCURONIDE 6''-METHYL ESTER, .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-8-YL, METHYL ESTER
Topological Polar Surface Area	192.0
Hydrogen Bond Donor Count	6.0
Heavy Atom Count	34.0
Isotope Atom Count	0.0
Molecular Complexity	793.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Uniprot Id	P08236
Iupac Name	methyl (2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
Prediction Hob	0.0
Xlogp	1.1
Molecular Formula	C22H20O12
Prediction Swissadme	0.0
Inchi Key	OBCWIMFOZUOMAM-NTKSAMNMSA-N
Fcsp3	0.2727272727272727
Logs	-4.231
Rotatable Bond Count	5.0
Logd	0.646
Compound Name	ISOSCUTELLAREIN 8-O-beta-D-GLUCURONIDE 6''-METHYL ESTER
Prediction Hob Swissadme	0.0
Exact Mass	476.095
Formal Charge	0.0
Monoisotopic Mass	476.095
Hydrogen Bond Acceptor Count	12.0
Molecular Weight	476.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	0.0
Esol	-2.9945532941176474
Inchi	InChI=1S/C22H20O12/c1-31-21(30)20-16(28)15(27)17(29)22(34-20)33-18-12(26)6-10(24)14-11(25)7-13(32-19(14)18)8-2-4-9(23)5-3-8/h2-7,15-17,20,22-24,26-29H,1H3/t15-,16-,17+,20-,22+/m0/s1
Smiles	COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O)O
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Bidens Andicola (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Bidens Bipinnata (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Bidens Biternata (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Bidens Cernua (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Bidens Parviflora (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Bidens Pilosa (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Bidens Sulphureus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
8. Outgoing r'ship FOUND_IN to/from Bidens Tripartita (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Bryum Argenteum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Chenopodium Hybridum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Cosmos Sulphureus (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Ophiopogon Chekiangensis (Plant) Rel Props:Source_db:npass_chem_all
13. Outgoing r'ship FOUND_IN to/from Ophiopogon Intermedius (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Ophiopogon Japonicus (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Ophiopogon Planiscapus (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Papaver Album (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Papaver Argemone (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Papaver Bracteatum (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Papaver Caucasicum (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Papaver Commutatum (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Papaver Dubium (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Papaver Fugax (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Papaver Glaucum (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Papaver Hybrid (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Papaver Hybridum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
26. Outgoing r'ship FOUND_IN to/from Papaver Nudicaule (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Papaver Orientale (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Papaver Persicum (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Papaver Pseudocanescens (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Papaver Radicatum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Papaver Rhoeas (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Papaver Somniferum (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Papaver Tatricum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Tanacetum Argenteum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
35. Outgoing r'ship FOUND_IN to/from Tanacetum Balsamitoides (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Tanacetum Cinerariifolium (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Tanacetum Coccineum (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Tanacetum Dolichophyllum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Tanacetum Gracile (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Tanacetum Himachalensis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Tanacetum Microphyllum (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Tanacetum Nanam (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Tanacetum Nubigenum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Tanacetum Parthenifolium (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Tanacetum Parthenium (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Tanacetum Praeteritum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Tanacetum Santolina (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Tanacetum Santolinoides (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Tanacetum Sibiricum (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Tanacetum Vulgare (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Thamnosma Rhodesica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
52. Outgoing r'ship FOUND_IN to/from Trifolium Hybridum (Plant) Rel Props:Reference:

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ISOSCUTELLAREIN 8-O-beta-D-GLUCURONIDE 6''-METHYL ESTER

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Phytochemical Properties

Associated Connections 52

Plant Connections 52