(8S)-5-hydroxy-8-(3-hydroxy-4,5-dimethoxyphenyl)-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one

PubChem CID: 71659765

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL2387713
Topological Polar Surface Area	115.0
Hydrogen Bond Donor Count	3.0
Heavy Atom Count	35.0
Isotope Atom Count	0.0
Molecular Complexity	743.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Iupac Name	(8S)-5-hydroxy-8-(3-hydroxy-4,5-dimethoxyphenyl)-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
Prediction Hob	0.0
Xlogp	4.3
Molecular Formula	C27H34O8
Prediction Swissadme	1.0
Inchi Key	ZMYCAMWWCDPOSK-JDEXWRGDSA-N
Fcsp3	0.5185185185185185
Logs	-4.417
Rotatable Bond Count	7.0
Logd	3.124
Compound Name	(8S)-5-hydroxy-8-(3-hydroxy-4,5-dimethoxyphenyl)-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
Prediction Hob Swissadme	0.0
Exact Mass	486.225
Formal Charge	0.0
Monoisotopic Mass	486.225
Hydrogen Bond Acceptor Count	8.0
Molecular Weight	486.6
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Esol	-5.363692485714288
Inchi	InChI=1S/C27H34O8/c1-26(2,31)8-6-9-27(3)10-7-16-20(35-27)14-21-23(24(16)30)17(28)13-19(34-21)15-11-18(29)25(33-5)22(12-15)32-4/h11-12,14,19,29-31H,6-10,13H2,1-5H3/t19-,27?/m0/s1
Smiles	CC1(CCC2=C(C3=C(C=C2O1)O[C@@H](CC3=O)C4=CC(=C(C(=C4)OC)OC)O)O)CCCC(C)(C)O
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Acacia Tomentosa (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Achyrocline Tomentosa (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aglaia Tomentosa (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Ampelocissus Tomentosa (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Anemone Tomentosa (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Bauhinia Tomentosa (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Berlinia Tomentosa (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Bridelia Tomentosa (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Callicarpa Tomentosa (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Casearia Tomentosa (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Catunaregam Tomentosa (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Citrus Grandis (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Cyathula Tomentosa (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Dicoma Tomentosa (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Dioscorea Tomentosa (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Edgeworthia Tomentosa (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Eria Tomentosa (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Ficus Tomentosa (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Goupia Tomentosa (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Hubertia Tomentosa (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Hyptis Tomentosa (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Lespedeza Tomentosa (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Melochia Tomentosa (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Morinda Tomentosa (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Myrtus Tomentosa (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Paulownia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
27. Outgoing r'ship FOUND_IN to/from Pluchea Tomentosa (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Populus Tomentosa (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Premna Tomentosa (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Prunus Tomentosa (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Rhodomyrtus Tomentosa (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Salvia Tomentosa (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Sophora Tomentosa (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Sorbaria Tomentosa (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Strychnos Tomentosa (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Terminalia Tomentosa (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Tinospora Tomentosa (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Trema Tomentosa (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Uncaria Tomentosa (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Vitis Tomentosa (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Wrightia Tomentosa (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Xantolis Tomentosa (Plant) Rel Props:Reference:

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(8S)-5-hydroxy-8-(3-hydroxy-4,5-dimethoxyphenyl)-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one

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Phytochemical Properties

Associated Connections 42

Plant Connections 42