3-Butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one

PubChem CID: 529865

Connections displayed (default: 10).

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Compound Synonyms	3-butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one, DTXSID40863398, KBio2_002182, Spectrum_001702, SpecPlus_000585, Spectrum4_001816, KBioGR_002456, KBioSS_002182, DivK1c_006681, SCHEMBL4087027, KBio1_001625, KBio2_004750, KBio2_007318, AKOS028108679
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	14.0
Isotope Atom Count	0.0
Molecular Complexity	345.0
Database Name	cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	3-butylidene-4,5-dihydro-2-benzofuran-1-one
Prediction Hob	1.0
Class	Isobenzofurans
Xlogp	2.7
Superclass	Organoheterocyclic compounds
Molecular Formula	C12H14O2
Prediction Swissadme	1.0
Inchi Key	IQVQXVFMNOFTMU-UHFFFAOYSA-N
Fcsp3	0.4166666666666667
Logs	-3.482
Rotatable Bond Count	2.0
Logd	4.032
Synonyms	Ligustilide, Ligustilide, (e)-isomer, Ligustilide, (Z)-isomer
Compound Name	3-Butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one
Kingdom	Organic compounds
Prediction Hob Swissadme	1.0
Exact Mass	190.099
Formal Charge	0.0
Monoisotopic Mass	190.099
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	190.24
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	1.0
Molecular Framework	Aliphatic heteropolycyclic compounds
Esol	-2.5885003999999996
Inchi	InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3
Smiles	CCCC=C1C2=C(C=CCC2)C(=O)O1
Nring	2.0
Defined Bond Stereocenter Count	0.0
Taxonomy Direct Parent	Isobenzofurans

1. Outgoing r'ship FOUND_IN to/from Aconitum Gigas (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
3. Outgoing r'ship FOUND_IN to/from Angelica Anomala (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Angelica Archangelica (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Angelica Cyclocarpa (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Angelica Dahurica (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Angelica Decursiva (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Angelica Furcijuga (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Angelica Genuflexa (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
11. Outgoing r'ship FOUND_IN to/from Angelica Glabra (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Angelica Glauca (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Angelica Hirsutiflora (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Angelica Keiskei (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Angelica Lucida (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Angelica Nubigena (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Angelica Officinalis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Angelica Pachycarpa (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Angelica Pubescens (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Angelica Saxatilis (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
23. Outgoing r'ship FOUND_IN to/from Angelica Sylvestris (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Angelica Taiwaniana (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Angelica Talwaniana (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Angelica Tarokoensis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Angelica Tenuissima (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Angelica Ursina (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Bretschneidera Sinensis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Cephalotaxus Sinensis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Chaenomeles Sinensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Chrysanthemum Sinense (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Cnidium Monieri (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Cnidium Monnieri (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Cnidium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
39. Outgoing r'ship FOUND_IN to/from Cordia Sinensis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Cordyceps Sinensis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Cryptolepis Sinensis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Cynoglossum Officinale (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Diphylleia Sinensis (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Dolichos Sinensis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Entada Gigas (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Euphrasia Officinale (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Gleditsia Sinensis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Guaiacum Officinale (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Hyssopus Officinale (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Jasminum Officinale (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Juglans Sinensis (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Levisticum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
54. Outgoing r'ship FOUND_IN to/from Ligusticum Brachylobum (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Ligusticum Chuanxiong (Plant) Rel Props:Source_db:npass_chem_all
56. Outgoing r'ship FOUND_IN to/from Ligusticum Elatum (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Ligusticum Jeholense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
58. Outgoing r'ship FOUND_IN to/from Ligusticum Lucidum (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Ligusticum Porteri (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Ligusticum Scoticum (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
62. Outgoing r'ship FOUND_IN to/from Ligusticum Tenuissimum (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Ligustrum Sinense (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Limonium Sinense (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Lithospermum Officinale (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Miliusa Sinensis (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Miscanthus Sinensis (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Nasturtium Officinale (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Neottia Sinensis (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Nyssa Sinensis (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Peucedanum Officinale (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Pseudotsuga Sinensis (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Rheum Officinale (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Saccharum Sinensis (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Schoenocaulon Officinale (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Scopolia Sinensis (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Selaginella Sinensis (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Sisymbrium Officinale (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Spiranthes Sinensis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Symphytum Officinale (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Taraxacum Officinale (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Tetracentron Sinense (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Reference:

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3-Butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one

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Phytochemical Properties

Associated Connections 88

Plant Connections 88