Artemisyl acetate

PubChem CID: 524254

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Compound Synonyms	Artemisyl acetate, Artemisia alcohol acetate, .beta.-Artemisia acetate, Artemisia alcohol, acetate, 3,3,6-trimethylhepta-1,5-dien-4-yl acetate, (S)-3,3,6-Trimethylhepta-1,5-dien-4-yl acetate, 1,5-Heptadien-4-ol, 3,3,6-trimethyl-, acetate, (4S)-, 1,5-Heptadien-4-ol, 3,3,6-trimethyl-, acetate, (S)-, 1,5-Heptadien-4-ol, 3,3,6-trimethyl-, 4-acetate, (4S)-, Artemisia acetate, beta-Artemisia acetate, CHEBI:172059, Acetic ester of L-beta-artemisia alcohol, Q67879703
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Np Classifier Class	Acyclic monoterpenoids
Deep Smiles	C=CCCC=CC)C)))OC=O)C))))C)C
Heavy Atom Count	14.0
Classyfire Class	Carboxylic acids and derivatives
Description	From Artemisia subspecies
Classyfire Subclass	Carboxylic acid derivatives
Isotope Atom Count	0.0
Molecular Complexity	245.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	3,3,6-trimethylhepta-1,5-dien-4-yl acetate
Prediction Hob	1.0
Class	Carboxylic acids and derivatives
Veber Rule	True
Classyfire Superclass	Organic acids and derivatives
Xlogp	3.6
Superclass	Organic acids and derivatives
Subclass	Carboxylic acid derivatives
Gsk 4 400 Rule	True
Molecular Formula	C12H20O2
Prediction Swissadme	1.0
Inchi Key	NGIKFWJEQGLTBM-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.5833333333333334
Rotatable Bond Count	5.0
Synonyms	Acetic ester of l-beta-artemisia alcohol, Artemisia acetate, Artemisia alcohol acetate, Artemisia alcohol, acetate, Artemisyl acetate, Artemisia alcohol acetic acid, Acetic ester OF L-beta-artemisia alcohol, 3,3,6-Trimethylhepta-1,5-dien-4-yl acetic acid, artemisyl acetate
Esol Class	Soluble
Functional Groups	C=CC, CC=C(C)C, COC(C)=O
Compound Name	Artemisyl acetate
Kingdom	Organic compounds
Prediction Hob Swissadme	1.0
Exact Mass	196.146
Formal Charge	0.0
Monoisotopic Mass	196.146
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	196.29
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic acyclic compounds
Lipinski Rule Of 5	True
Esol	-3.0138979999999997
Inchi	InChI=1S/C12H20O2/c1-7-12(5,6)11(8-9(2)3)14-10(4)13/h7-8,11H,1H2,2-6H3
Smiles	CC(=CC(C(C)(C)C=C)OC(=O)C)C
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Carboxylic acid esters
Np Classifier Superclass	Monoterpenoids

1. Outgoing r'ship FOUND_IN to/from Adonis Annua (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Artemisia Abrotanum (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Artemisia Absinthium (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Artemisia Afra (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
6. Outgoing r'ship FOUND_IN to/from Artemisia Anomala (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Artemisia Apiacea (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Artemisia Arborescens (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Artemisia Arbuscula (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artemisia Argentea (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Artemisia Argyi (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Artemisia Assoana (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Artemisia Aucheri (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Artemisia Austriaca (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Artemisia Biennis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Artemisia Bigelovii (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Artemisia Brevifolia (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Artemisia Caerulescens (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Artemisia Campestris (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Artemisia Canariensis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Artemisia Capillari (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Artemisia Capillaries (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Artemisia Capillaris (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Artemisia Carvifolia (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Artemisia Caucasica (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Artemisia Chinensis (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Artemisia Cina (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Artemisia Coerulescens (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Artemisia Dentata (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Artemisia Desertorum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Artemisia Dracunculus (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Artemisia Gilvescens (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Artemisia Giraldii (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Artemisia Glabella (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Artemisia Gmelini (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Artemisia Gmelinii (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Artemisia Halodendron (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Artemisia Hanseniana (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Artemisia Incanescens (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Artemisia Indica (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Artemisia Iwayomogi (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Artemisia Jacutica (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Artemisia Japonica (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Artemisia Judaica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730070204
45. Outgoing r'ship FOUND_IN to/from Artemisia Juncea (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Artemisia Klotzchiana (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Artemisia Kurramensis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Artemisia Laciniata (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Artemisia Lactiflora (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Artemisia Ludoviciana (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Artemisia Macrocephala (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Artemisia Maderaspatana (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Artemisia Maritima (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Artemisia Mesatlantica (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Artemisia Mexicana (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Artemisia Minor (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Artemisia Mongolica (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Artemisia Monogyna (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Artemisia Monosperma (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Artemisia Montana (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Artemisia Moorcroftiana (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Artemisia Myriantha (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Artemisia Niirica (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Artemisia Nilagirica (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Artemisia Oranensis (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Artemisia Pallens (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Artemisia Parviflora (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Artemisia Pectinata (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Artemisia Pedemontana (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Artemisia Persica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698002
71. Outgoing r'ship FOUND_IN to/from Artemisia Porrecta (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Artemisia Princeps (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Artemisia Rehan (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Artemisia Roxbugiana (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Artemisia Roxburghiana (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199801/02)13:1<40::aid-ffj688>3.0.co;2-z
76. Outgoing r'ship FOUND_IN to/from Artemisia Rubripes (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Artemisia Rupestris (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Artemisia Rutifolia (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Artemisia Salsoloides (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Artemisia Schimperi (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Artemisia Schmidtiana (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Artemisia Schrenkiana (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Artemisia Scoparia (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Artemisia Sieversiana (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Artemisia Siversiana (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Artemisia Stracheyi (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Artemisia Sylvatica (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Artemisia Taurica (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Artemisia Tournefortiana (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Artemisia Tridentata (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Artemisia Umbelliformis (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Artemisia Urghiana (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Artemisia Vachanica (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Artemisia Vestita (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643355
95. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Artemisia Wallichiana (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Glebionis Coronaria (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2017.1408501
98. Outgoing r'ship FOUND_IN to/from Martynia Annua (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Mercurialis Annua (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1004123
101. Outgoing r'ship FOUND_IN to/from Triumfetta Annua (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Viguiera Annua (Plant) Rel Props:Reference:

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Artemisyl acetate

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Phytochemical Properties

Associated Connections 102

Plant Connections 102