(3R,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

PubChem CID: 442139

Connections displayed (default: 10).

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Compound Synonyms	(3R,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione, 5956-04-7, Azuleno[4,5-b]furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-3,6,9-trimethyl-, (3R,3aS,9aS,9bS)-, CHEBI:2425, MEGxp0_001628, SCHEMBL5004433, NSC824350, AKOS027321076, NSC-824350, C09287, Q27105661, (3R,3aS,9aS,9bS)-3,6,9-Trimethyl-3,3a,4,5-tetrahydroazuleno[4,5-b]furan-2,7(9aH,9bH)-dione
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC2CCCC3C(C)CCC3C2C1
Np Classifier Class	Guaiane sesquiterpenoids
Deep Smiles	C[C@H]C=O)O[C@H][C@H]5CCC=C[C@@H]7C=CC5=O)))C))))C
Heavy Atom Count	18.0
Classyfire Class	Lactones
Scaffold Graph Node Level	OC1CC2CCCC3C(O)CCC3C2O1
Classyfire Subclass	Gamma butyrolactones
Isotope Atom Count	0.0
Molecular Complexity	498.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(3R,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
Nih Violation	False
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	1.6
Is Pains	False
Gsk 4 400 Rule	True
Molecular Formula	C15H18O3
Scaffold Graph Node Bond Level	O=C1CC2CCC=C3C(=O)C=CC3C2O1
Prediction Swissadme	0.0
Inchi Key	BJPSSVHNEGMBDQ-OAACRXHESA-N
Silicos It Class	Soluble
Fcsp3	0.6
Logs	-3.186
Rotatable Bond Count	0.0
Logd	2.63
Synonyms	achillin
Esol Class	Soluble
Functional Groups	CC1=CC(=O)C(=C(C)C)C1, COC(C)=O
Compound Name	(3R,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
Prediction Hob Swissadme	0.0
Exact Mass	246.126
Formal Charge	0.0
Brenk Violation	False
Monoisotopic Mass	246.126
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	246.3
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-2.3876972
Inchi	InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10+,13+,14+/m1/s1
Smiles	C[C@@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C
Nring	3.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Sesquiterpenoids

1. Outgoing r'ship FOUND_IN to/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
2. Outgoing r'ship FOUND_IN to/from Argyreia Imbricata (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Artemisia Abrotanum (Plant) Rel Props:Reference:
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5. Outgoing r'ship FOUND_IN to/from Artemisia Afra (Plant) Rel Props:Reference:
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7. Outgoing r'ship FOUND_IN to/from Artemisia Anomala (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Artemisia Apiacea (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Artemisia Arborescens (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artemisia Arbuscula (Plant) Rel Props:Reference:
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21. Outgoing r'ship FOUND_IN to/from Artemisia Canariensis (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all; Reference:
23. Outgoing r'ship FOUND_IN to/from Artemisia Carvifolia (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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43. Outgoing r'ship FOUND_IN to/from Artemisia Judaica (Plant) Rel Props:Reference:
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45. Outgoing r'ship FOUND_IN to/from Artemisia Klotzchiana (Plant) Rel Props:Reference:
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47. Outgoing r'ship FOUND_IN to/from Artemisia Laciniata (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Artemisia Lactiflora (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Artemisia Ludoviciana (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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58. Outgoing r'ship FOUND_IN to/from Artemisia Monosperma (Plant) Rel Props:Reference:
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:
63. Outgoing r'ship FOUND_IN to/from Artemisia Nilagirica (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Artemisia Oranensis (Plant) Rel Props:Reference:
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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:
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76. Outgoing r'ship FOUND_IN to/from Artemisia Rupestris (Plant) Rel Props:Reference:
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 Calamus Thwaitesii (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Calophyllum Thwaitesii (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Cyperus Alopecuroides (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Cyperus Amabilis (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Cyperus Articulatus (Plant) Rel Props:Reference:
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102. Outgoing r'ship FOUND_IN to/from Cyperus Capitatus (Plant) Rel Props:Reference:
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104. Outgoing r'ship FOUND_IN to/from Cyperus Difformis (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Cyperus Distans (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Cyperus Esculentus (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Cyperus Exaltatus (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Cyperus Haspan (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
109. Outgoing r'ship FOUND_IN to/from Cyperus Iria (Plant) Rel Props:Reference:
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115. Outgoing r'ship FOUND_IN to/from Cyperus Opecuroides (Plant) Rel Props:Reference:
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125. Outgoing r'ship FOUND_IN to/from Cyperus Stoloniferus (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Fabiana Imbricata (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Goniothalamus Amuyon (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Goniothalamus Arvensis (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Goniothalamus Borneensis (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Goniothalamus Cheliensis (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Goniothalamus Dolichocarpus (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Goniothalamus Gardneri (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Goniothalamus Giganteus (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Goniothalamus Griffithii (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Goniothalamus Howii (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Goniothalamus Leiocarpus (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Goniothalamus Macranthus (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Goniothalamus Malayanus (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Goniothalamus Sesquipedalis (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Goniothalamus Thwaitesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
141. Outgoing r'ship FOUND_IN to/from Goniothalamus Undulatus (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Goniothalamus Waynaadensis (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Goniothalamus Wightii (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Hardenbergia Violacea (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Ipomoea Violacea (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Matricaria Chamomilla (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/22410959
147. Outgoing r'ship FOUND_IN to/from Maytenus Imbricata (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Olax Imbricata (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Pandanus Thwaitesii (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Phaulopsis Imbricata (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Pholidota Imbricata (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Rhodiola Imbricata (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Salsola Imbricata (Plant) Rel Props:Reference:
154. Outgoing r'ship FOUND_IN to/from Salvinia Cucullata (Plant) Rel Props:Reference:
155. Outgoing r'ship FOUND_IN to/from Salvinia Imbricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
156. Outgoing r'ship FOUND_IN to/from Stypandra Imbricata (Plant) Rel Props:Reference:
157. Outgoing r'ship FOUND_IN to/from Tetraria Capillaris (Plant) Rel Props:Reference:
158. Outgoing r'ship FOUND_IN to/from Zehneria Thwaitesii (Plant) Rel Props:Reference:

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(3R,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

Graph

Phytochemical Properties

Associated Connections 158

Plant Connections 158