Pechueloic Acid

PubChem CID: 24094149

Connections displayed (default: 10).

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Compound Synonyms	Rupestonic acid, Pechueloic Acid, 83161-56-2, 2-[(5R,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid, Rupestonate, 5-Azuleneacetic acid,1,2,4,5,6,7,8,8a-octahydro-3,8-dimethyl-a-methylene-2-oxo-,[5R-(5a,8a,8ab)]-, 2-((5R,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl)prop-2-enoic acid, MEGxp0_001667, CHEMBL1956398, SCHEMBL13250880, ACon1_001383, CHEBI:183941, HY-N3016, AKOS040740904, NCGC00180565-01, NCGC00180565-02, DA-57577, MS-23517, CS-0022973, E88596, BRD-K13964656-001-01-2, 2-((5r,8s,8as)-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl) acrylic acid
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	18.0
Isotope Atom Count	0.0
Molecular Complexity	445.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	3.0
Iupac Name	2-[(5R,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]prop-2-enoic acid
Prediction Hob	1.0
Xlogp	2.4
Molecular Formula	C15H20O3
Prediction Swissadme	1.0
Inchi Key	ZFHSKBJBODQVBX-AXTRIDKLSA-N
Fcsp3	0.6
Logs	-2.89
Rotatable Bond Count	2.0
Logd	1.131
Compound Name	Pechueloic Acid
Prediction Hob Swissadme	1.0
Exact Mass	248.141
Formal Charge	0.0
Monoisotopic Mass	248.141
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	248.32
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	0.0
Esol	-3.7172467999999994
Inchi	InChI=1S/C15H20O3/c1-8-4-5-11(9(2)15(17)18)6-13-10(3)14(16)7-12(8)13/h8,11-12H,2,4-7H2,1,3H3,(H,17,18)/t8-,11+,12-/m0/s1
Smiles	C[C@H]1CC[C@H](CC2=C(C(=O)C[C@@H]12)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:
6. Outgoing r'ship FOUND_IN to/from Artemisia Apiacea (Plant) Rel Props:Reference:
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:
13. Outgoing r'ship FOUND_IN to/from Artemisia Austriaca (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Artemisia Biennis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Artemisia Bigelovii (Plant) Rel Props:Reference:
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17. Outgoing r'ship FOUND_IN to/from Artemisia Caerulescens (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Artemisia Campestris (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Artemisia Canariensis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Artemisia Capillari (Plant) Rel Props:Reference:
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25. Outgoing r'ship FOUND_IN to/from Artemisia Chinensis (Plant) Rel Props:Reference:
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31. Outgoing r'ship FOUND_IN to/from Artemisia Gilvescens (Plant) Rel Props:Reference:
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54. Outgoing r'ship FOUND_IN to/from Artemisia Mexicana (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Artemisia Minor (Plant) Rel Props:Reference:
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59. Outgoing r'ship FOUND_IN to/from Artemisia Montana (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Artemisia Moorcroftiana (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Artemisia Myriantha (Plant) Rel Props:Reference:
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:
66. Outgoing r'ship FOUND_IN to/from Artemisia Parviflora (Plant) Rel Props:Reference:
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:
70. Outgoing r'ship FOUND_IN to/from Artemisia Porrecta (Plant) Rel Props:Reference:
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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Pechueloic Acid

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Phytochemical Properties

Associated Connections 100

Plant Connections 100