Stephasunoline

PubChem CID: 618654

Connections displayed (default: 10).

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Compound Synonyms	Stephasunoline, WOGSBUNWOTVHQN-UHFFFAOYSA-N
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	80.6
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	C1CCC2C(C1)C1CC3CCCC24CCCC34C1
Np Classifier Class	Hasubanan alkaloids
Deep Smiles	COCCO)CCCC6O)OCC5)cc7cOC))ccc6))OC)))))))))NC)CC5
Heavy Atom Count	27.0
Classyfire Class	Hasubanan alkaloids
Scaffold Graph Node Level	C1CCC2C(C1)C1CC34NCCC23CCCC4O1
Isotope Atom Count	0.0
Molecular Complexity	619.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	3,4,12-trimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-11,13-diol
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Alkaloids and derivatives
Xlogp	0.3
Gsk 4 400 Rule	True
Molecular Formula	C20H27NO6
Scaffold Graph Node Bond Level	c1ccc2c(c1)C1CC34NCCC23CCCC4O1
Prediction Swissadme	1.0
Inchi Key	WOGSBUNWOTVHQN-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.7
Logs	-1.949
Rotatable Bond Count	3.0
Logd	1.569
Synonyms	stephasunoline
Esol Class	Soluble
Functional Groups	CN(C)C, CO, COC, COC(C)(C)O, cOC
Compound Name	Stephasunoline
Prediction Hob Swissadme	1.0
Exact Mass	377.184
Formal Charge	0.0
Monoisotopic Mass	377.184
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	377.4
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	6.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-2.335553844444445
Inchi	InChI=1S/C20H27NO6/c1-21-8-7-18-9-12(22)17(26-4)20(23)19(18,21)10-14(27-20)11-5-6-13(24-2)16(25-3)15(11)18/h5-6,12,14,17,22-23H,7-10H2,1-4H3
Smiles	CN1CCC23C14CC(C5=C2C(=C(C=C5)OC)OC)OC4(C(C(C3)O)OC)O
Nring	5.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Tyrosine alkaloids

1. Outgoing r'ship FOUND_IN to/from Achyranthes Japonica (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Agrimonia Japonica (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Agrimonia Pilosa (Plant) Rel Props:Reference:
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5. Outgoing r'ship FOUND_IN to/from Alpinia Japonica (Plant) Rel Props:Reference:
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7. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
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65. Outgoing r'ship FOUND_IN to/from Plagiochila Acanthophylla (Plant) Rel Props:Reference:
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67. Outgoing r'ship FOUND_IN to/from Pseudotsuga Japonica (Plant) Rel Props:Reference:
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77. Outgoing r'ship FOUND_IN to/from Scopolia Japonica (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Skimmia Japonica (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Spergula Japonica (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Spiraea Japonica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Stephania Aculeata (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Stephania Cepharantha (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Stephania Delavayi (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Stephania Dicentrinifera (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Stephania Dielsiana (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Stephania Dinklagei (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Stephania Discolor (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Stephania Elegans (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Stephania Epigaea (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Stephania Erecta (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Stephania Glabra (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Stephania Glandulifera (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Stephania Hernandifolia (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Stephania Hernandiifolia (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Stephania Hispidula (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Stephania Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
99. Outgoing r'ship FOUND_IN to/from Stephania Longa (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Stephania Pierrei (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Stephania Sasakii (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Stephania Sinica (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Stephania Succifera (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Stephania Sutchuenensis (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Stephania Tetrandra (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Stephania Viridiflavens (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Stephania Wightii (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Stephania Zippeliana (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Ternstroemia Japonica (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Tilia Japonica (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Torilis Japonica (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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Stephasunoline

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Phytochemical Properties

Associated Connections 114

Plant Connections 114