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

PubChem CID: 71659627

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL2387711, BDBM50278905
Topological Polar Surface Area	116.0
Hydrogen Bond Donor Count	4.0
Heavy Atom Count	32.0
Isotope Atom Count	0.0
Molecular Complexity	681.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Uniprot Id	P08246
Iupac Name	(8S)-8-(3,4-dihydroxyphenyl)-5-hydroxy-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
Prediction Hob	1.0
Target Id	NPT279
Xlogp	4.0
Molecular Formula	C25H30O7
Prediction Swissadme	1.0
Inchi Key	CMJDNOOYGNOVCM-UBDBMELISA-N
Fcsp3	0.48
Logs	-4.005
Rotatable Bond Count	5.0
Logd	2.938
Compound Name	(8S)-8-(3,4-dihydroxyphenyl)-5-hydroxy-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
Prediction Hob Swissadme	1.0
Exact Mass	442.199
Formal Charge	0.0
Monoisotopic Mass	442.199
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	442.5
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Esol	-5.0573496
Inchi	InChI=1S/C25H30O7/c1-24(2,30)8-4-9-25(3)10-7-15-20(32-25)13-21-22(23(15)29)18(28)12-19(31-21)14-5-6-16(26)17(27)11-14/h5-6,11,13,19,26-27,29-30H,4,7-10,12H2,1-3H3/t19-,25?/m0/s1
Smiles	CC1(CCC2=C(C3=C(C=C2O1)O[C@@H](CC3=O)C4=CC(=C(C=C4)O)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)-8-(3,4-dihydroxyphenyl)-5-hydroxy-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