Nardosinone

PubChem CID: 168136

Connections displayed (default: 10).

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Compound Synonyms	Nardosinone, 23720-80-1, (3aR,9R,9aR,9bS)-1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho[2,1-c]dioxol-5-one, 5VA93HYL8U, 1,3a,4,7,8,9,9a,9b-Octahydro-1,1,9,9a-tetramethyl-5H-naphtho(2,1c)(1,2)dioxol-5-one, Nardosinon, (3aR,9R,9aR,9bS)-1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho(2,1-c)dioxol-5-one, [3aR-(3aa,9a,9aa,9ba)]-1,3a,4,7,8,9,9a,9b-Octahydro-1,1,9,9a-tetramethyl-5H-Naphtho[2,1-c][1,2]dioxol-5-one, Nardosinon, MFCD21363103, Nardosinone (Standard), UNII-5VA93HYL8U, CHEMBL1933702, HY-N0380R, DTXSID50946520, HMS3886H16, HY-N0380, s9093, AKOS026674260, CCG-266967, FN73909, AC-34250, AS-82734, DA-65937, CS-0008922, Q15425798, (3aR,9R,9aR,9bS)-1,1,9,9a-Tetramethyl-3a,4,7,8,9,9a-hexahydro-1H-naphtho[2,1-c][1,2]dioxol-5(9bH)-one, (3aR,9R,9aR,9bS)-1,3a,4,7,8,9,9a,9b-Octahydro-1,1,9,9a-tetramethyl-5H-naphtho[2,1-c][1,2]dioxol-5-one, 5H-Naphtho[2,1-c][1,2]dioxol-5-one, 1,3a,4,7,8,9,9a,9b-octahydro-1,1,9,9a-tetramethyl-, (3aR,9R,9aR,9bS)-, 5H-Naphtho[2,1-c][1,2]dioxol-5-one, 1,3a,4,7,8,9,9a,9b-octahydro-1,1,9,9a-tetramethyl-, [3aR-(3aalpha,9alpha,9aalpha,9balpha)]-
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC2CCCC2C2CCCCC12
Np Classifier Class	Nardosinane sesquiterpenoids
Deep Smiles	O=CC[C@H]OOC[C@H]5[C@@]C9=CCC[C@H]6C))))))C)))C)C
Heavy Atom Count	18.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	OC1CC2OOCC2C2CCCCC12
Classyfire Subclass	Sesquiterpenoids
Isotope Atom Count	0.0
Molecular Complexity	423.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(3aR,9R,9aR,9bS)-1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho[2,1-c]dioxol-5-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	2.9
Gsk 4 400 Rule	True
Molecular Formula	C15H22O3
Scaffold Graph Node Bond Level	O=C1CC2OOCC2C2CCCC=C12
Prediction Swissadme	0.0
Inchi Key	KXGHHSIMRWPVQM-JWFUOXDNSA-N
Silicos It Class	Soluble
Fcsp3	0.8
Logs	0.051
Rotatable Bond Count	0.0
Logd	0.466
Synonyms	nardosinone
Esol Class	Soluble
Functional Groups	CC=C(C)C(C)=O, COOC
Compound Name	Nardosinone
Prediction Hob Swissadme	0.0
Exact Mass	250.157
Formal Charge	0.0
Monoisotopic Mass	250.157
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	250.33
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	-3.2001956
Inchi	InChI=1S/C15H22O3/c1-9-6-5-7-10-11(16)8-12-13(15(9,10)4)14(2,3)18-17-12/h7,9,12-13H,5-6,8H2,1-4H3/t9-,12-,13+,15+/m1/s1
Smiles	C[C@@H]1CCC=C2[C@]1([C@H]3[C@@H](CC2=O)OOC3(C)C)C
Nring	1.0
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 Abelia Chinensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Actinidia Chinensis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aesculus Chinensis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Albizia Chinensis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Albizzia Chinensis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Aloe Vera (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Alpinia Chinensis (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Anthocephalus Chinensis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Aralia Chinensis (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artemisia Chinensis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Arundina Chinensis (Plant) Rel Props:Reference:
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17. Outgoing r'ship FOUND_IN to/from Belamcanda Chinensis (Plant) Rel Props:Reference:
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19. Outgoing r'ship FOUND_IN to/from Boenninghausenia Albiflora (Plant) Rel Props:Reference:
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46. Outgoing r'ship FOUND_IN to/from Humulus Scandens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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53. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Klaseopsis Chinensis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Kopsia Albiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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59. Outgoing r'ship FOUND_IN to/from Kopsia Hainanensis (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Kopsia Lapidilecta (Plant) Rel Props:Reference:
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66. Outgoing r'ship FOUND_IN to/from Listea Chinensis (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Litchi Chinensis (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Lobelia Chinensis (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Luvunga Scandens (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Lygodium Scandens (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Matsumurella Chinensis (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Mikania Scandens (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Mosla Chinensis (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Nardostachys Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
75. Outgoing r'ship FOUND_IN to/from Odontosoria Chinensis (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Olax Scandens (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Osbeckia Chinensis (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Paederia Chinensis (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Paederia Scandens (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Persicaria Chinensis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Pistacia Chinensis (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Polygala Chinensis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Potentilla Chinensis (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Pothos Chinensis (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Pothos Scandens (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Pulsatilla Chinensis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Rhodotypos Scandens (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Rhus Chinensis (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Ribes Alpinum (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Ribes Fasciculatum (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Ribes Himalense (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Ribes Nigrum (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Ribes Orientale (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Ribes Rubrum (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Ribes Sanguineum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
96. Outgoing r'ship FOUND_IN to/from Rosa Chinensis (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Salacia Chinensis (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Saururus Chinensis (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Scolopia Chinensis (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Scutellaria Scandens (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Senecio Chinensis (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Senecio Scandens (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Simmondsia Chinensis (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Siphonostegia Chinensis (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Solidago Chinensis (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Sphenomeris Chinensis (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Stachys Aegyptiaca (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Stachys Affinis (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Stachys Byzantina (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Stachys Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
112. Outgoing r'ship FOUND_IN to/from Stachys Lavandulifolia (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Stachys Mucronata (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Stachys Palustris (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Stachys Plumosa (Plant) Rel Props:Reference:
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117. Outgoing r'ship FOUND_IN to/from Stachys Tibetica (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Stachys Tuberifera (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Stauntonia Chinensis (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Swertia Chinensis (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Symplocos Chinensis (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Tamarix Chinensis (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Taxillus Chinensis (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Taxus Chinensis (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Tetracera Scandens (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Thermopsis Chinensis (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Trollius Chinensis (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Tsuga Chinensis (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Tupistra Chinensis (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Uncaria Scandens (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Valeriana Jatamansi (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Wedelia Chinensis (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 132

Plant Connections 132