1-(2,4-Dihydroxyphenyl)-3-[3,4-dihydro-3,8-dihydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2h-1-benzopyran-5-yl]-1-propanone

PubChem CID: 16681149

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL3593935, 1-(2,4-dihydroxyphenyl)-3-[3,4-dihydro-3,8-dihydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2h-1-benzopyran-5-yl]-1-propanone
Topological Polar Surface Area	107.0
Hydrogen Bond Donor Count	4.0
Heavy Atom Count	31.0
Isotope Atom Count	0.0
Molecular Complexity	644.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	n.a.
Iupac Name	3-[3,8-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-5-yl]-1-(2,4-dihydroxyphenyl)propan-1-one
Prediction Hob	1.0
Xlogp	4.9
Molecular Formula	C25H30O6
Prediction Swissadme	1.0
Inchi Key	LKRGIWICIRPKIL-UHFFFAOYSA-N
Fcsp3	0.4
Logs	-3.363
Rotatable Bond Count	7.0
Logd	3.881
Compound Name	1-(2,4-Dihydroxyphenyl)-3-[3,4-dihydro-3,8-dihydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2h-1-benzopyran-5-yl]-1-propanone
Prediction Hob Swissadme	1.0
Exact Mass	426.204
Formal Charge	0.0
Monoisotopic Mass	426.204
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	426.5
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Esol	-5.421007412903227
Inchi	InChI=1S/C25H30O6/c1-15(2)5-4-12-25(3)23(30)14-19-16(7-11-21(28)24(19)31-25)6-10-20(27)18-9-8-17(26)13-22(18)29/h5,7-9,11,13,23,26,28-30H,4,6,10,12,14H2,1-3H3
Smiles	CC(=CCCC1(C(CC2=C(C=CC(=C2O1)O)CCC(=O)C3=C(C=C(C=C3)O)O)O)C)C
Nring	3.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Artocarpus Altilis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Artocarpus Chama (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Artocarpus Champeden (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Artocarpus Communis (Plant) Rel Props:Source_db:npass_chem_all
5. Outgoing r'ship FOUND_IN to/from Artocarpus Dadah (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Artocarpus Gomezianus (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Artocarpus Heterophyllus (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Artocarpus Hirsutus (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Artocarpus Incisa (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artocarpus Integer (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Artocarpus Integra (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Artocarpus Integrifolia (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Artocarpus Lacucha (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Artocarpus Lakoocha (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Artocarpus Nobilis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Artocarpus Rigidus (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Artocarpus Styracifolius (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Brugmansia Suaveolens (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Commelina Communis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Corydalis Suaveolens (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Dioscorea Communis (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Elsholtzia Communis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Erythrophleum Suaveolens (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Hasteola Suaveolens (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Hyptis Brevipes (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Hyptis Capitata (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Hyptis Fasciculata (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Hyptis Pectinata (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Hyptis Sauveolens (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Hyptis Suaveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
31. Outgoing r'ship FOUND_IN to/from Hyptis Tomentosa (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Hyptis Urticoides (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Hyptis Verticillata (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Juniperus Communis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Malus Communis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Mentha Suaveolens (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Myrtus Communis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Oricia Suaveolens (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Parochetus Communis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Pluchea Suaveolens (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Poikilospermum Suaveolens (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Pyrus Communis (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Rhynchosia Suaveolens (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Ricinus Communis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Senecio Suaveolens (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Spermadictyon Suaveolens (Plant) Rel Props:Reference:

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1-(2,4-Dihydroxyphenyl)-3-[3,4-dihydro-3,8-dihydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2h-1-benzopyran-5-yl]-1-propanone

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Phytochemical Properties

Associated Connections 46

Plant Connections 46