2-[(5R,8S,8aS)-8a-hydroxy-3,8-dimethyl-2-oxo-1,4,5,6,7,8-hexahydroazulen-5-yl]prop-2-enoic acid

PubChem CID: 118711724

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL3326605
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	19.0
Isotope Atom Count	0.0
Molecular Complexity	488.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	3.0
Iupac Name	2-[(5R,8S,8aS)-8a-hydroxy-3,8-dimethyl-2-oxo-1,4,5,6,7,8-hexahydroazulen-5-yl]prop-2-enoic acid
Prediction Hob	1.0
Xlogp	1.1
Molecular Formula	C15H20O4
Prediction Swissadme	1.0
Inchi Key	PITQNBJHXKODTD-AVZKPZGTSA-N
Fcsp3	0.6
Logs	-2.25
Rotatable Bond Count	2.0
Logd	0.965
Compound Name	2-[(5R,8S,8aS)-8a-hydroxy-3,8-dimethyl-2-oxo-1,4,5,6,7,8-hexahydroazulen-5-yl]prop-2-enoic acid
Prediction Hob Swissadme	1.0
Exact Mass	264.136
Formal Charge	0.0
Monoisotopic Mass	264.136
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	264.32
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	0.0
Esol	-2.052390199999999
Inchi	InChI=1S/C15H20O4/c1-8-4-5-11(9(2)14(17)18)6-12-10(3)13(16)7-15(8,12)19/h8,11,19H,2,4-7H2,1,3H3,(H,17,18)/t8-,11+,15-/m0/s1
Smiles	C[C@H]1CC[C@H](CC2=C(C(=O)C[C@]12O)C)C(=C)C(=O)O
Nring	2.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Artemisia Abrotanum (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Artemisia Absinthium (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Artemisia Afra (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Artemisia Annua (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Artemisia Anomala (Plant) Rel Props:Reference:
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7. Outgoing r'ship FOUND_IN to/from Artemisia Arborescens (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Artemisia Arbuscula (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Artemisia Argentea (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artemisia Argyi (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Artemisia Assoana (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Artemisia Aucheri (Plant) Rel Props:Reference:
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14. Outgoing r'ship FOUND_IN to/from Artemisia Biennis (Plant) Rel Props:Reference:
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18. Outgoing r'ship FOUND_IN to/from Artemisia Campestris (Plant) Rel Props:Reference:
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55. Outgoing r'ship FOUND_IN to/from Artemisia Minor (Plant) Rel Props:Reference:
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60. Outgoing r'ship FOUND_IN to/from Artemisia Moorcroftiana (Plant) Rel Props:Reference:
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62. Outgoing r'ship FOUND_IN to/from Artemisia Niirica (Plant) Rel Props:Reference:
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64. Outgoing r'ship FOUND_IN to/from Artemisia Oranensis (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Artemisia Pallens (Plant) Rel Props:Reference:
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67. Outgoing r'ship FOUND_IN to/from Artemisia Pectinata (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Artemisia Pedemontana (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Artemisia Persica (Plant) Rel Props:Reference:
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71. Outgoing r'ship FOUND_IN to/from Artemisia Princeps (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Artemisia Rehan (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Artemisia Roxbugiana (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Artemisia Roxburghiana (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Artemisia Rubripes (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Artemisia Rupestris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
77. Outgoing r'ship FOUND_IN to/from Artemisia Rutifolia (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Artemisia Salsoloides (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Artemisia Schimperi (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Artemisia Schmidtiana (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Artemisia Schrenkiana (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Artemisia Scoparia (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Artemisia Sieversiana (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Artemisia Siversiana (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Artemisia Stracheyi (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Artemisia Sylvatica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Artemisia Taurica (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Artemisia Tournefortiana (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Artemisia Tridentata (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Artemisia Umbelliformis (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Artemisia Urghiana (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Artemisia Vachanica (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Artemisia Vestita (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Artemisia Wallichiana (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Euryops Rupestris (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Selaginella Rupestris (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Senecio Rupestris (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Triaenophora Rupestris (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Verbesina Rupestris (Plant) Rel Props:Reference:

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2-[(5R,8S,8aS)-8a-hydroxy-3,8-dimethyl-2-oxo-1,4,5,6,7,8-hexahydroazulen-5-yl]prop-2-enoic acid

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Phytochemical Properties

Associated Connections 100

Plant Connections 100