Stemonidine

PubChem CID: 24721470

Connections displayed (default: 10).

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Compound Synonyms	Stemonidine, 66267-46-7, (3S,3'S,8S,9R,9aR)-8-methoxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one, DA-58106
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	65.099
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCC(C2CCC3C2CCCCC32CCC(C)C2)C1
Np Classifier Class	Stemona alkaloids
Deep Smiles	CO[C@H]CCCN[C@@H][C@@]7OC=O)[C@H]C5)C)))))CC[C@H]5[C@H]OC=O)[C@H]C5)C
Heavy Atom Count	25.0
Classyfire Class	Stemona alkaloids
Scaffold Graph Node Level	OC1CCC(C2CCC3N2CCCCC32CCC(O)O2)O1
Classyfire Subclass	Tuberostemospironine-type alkaloids
Isotope Atom Count	0.0
Molecular Complexity	566.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	7.0
Iupac Name	(3S,3'S,8S,9R,9aR)-8-methoxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Alkaloids and derivatives
Xlogp	2.3
Gsk 4 400 Rule	True
Molecular Formula	C19H29NO5
Scaffold Graph Node Bond Level	O=C1CCC(C2CCC3N2CCCCC32CCC(=O)O2)O1
Prediction Swissadme	1.0
Inchi Key	TZPKEJFBTXRNTK-OSPICLMDSA-N
Silicos It Class	Soluble
Fcsp3	0.8947368421052632
Logs	-3.007
Rotatable Bond Count	2.0
Logd	1.301
Synonyms	stemonidine
Esol Class	Soluble
Functional Groups	CC(=O)OC, CN(C)C, COC, COC(C)=O
Compound Name	Stemonidine
Prediction Hob Swissadme	1.0
Exact Mass	351.205
Formal Charge	0.0
Monoisotopic Mass	351.205
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	351.4
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	7.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.3358962000000005
Inchi	InChI=1S/C19H29NO5/c1-11-9-14(24-17(11)21)13-6-7-15-19(10-12(2)18(22)25-19)16(23-3)5-4-8-20(13)15/h11-16H,4-10H2,1-3H3/t11-,12-,13-,14-,15+,16-,19+/m0/s1
Smiles	C[C@H]1C[C@H](OC1=O)[C@@H]2CC[C@H]3N2CCC[C@@H]([C@@]34C[C@@H](C(=O)O4)C)OC
Nring	4.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Ornithine alkaloids

1. Outgoing r'ship FOUND_IN to/from Abroma Radix (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Achyranthes Japonica (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Agrimonia Japonica (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Agrimonia Pilosa (Plant) Rel Props:Reference:
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8. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Ardisia Japonica (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Aristolochia Tuberosa (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Artemisia Japonica (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Asclepias Tuberosa (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Atista Radix (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Atractylodes Japonica (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Aucuba Japonica (Plant) Rel Props:Reference:
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19. Outgoing r'ship FOUND_IN to/from Betula Platyphylla (Plant) Rel Props:Reference:
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21. Outgoing r'ship FOUND_IN to/from Caesalpinia Japonica (Plant) Rel Props:Reference:
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67. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Merremia Tuberosa (Plant) Rel Props:Reference:
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70. Outgoing r'ship FOUND_IN to/from Micromeria Japonica (Plant) Rel Props:Reference:
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75. Outgoing r'ship FOUND_IN to/from Ophiorrhiza Japonica (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Orixa Japonica (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Osmunda Japonica (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Oxalis Tuberosa (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Pieris Japonica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Plagiochila Acanthophylla (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Polianthes Tuberosa (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Polyanthes Tuberosa (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Portulaca Tuberosa (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Pseudotsuga Japonica (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Pteris Japonica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Pueraria Tuberosa (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Pyrola Japonica (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Ranzania Japonica (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Rhamnus Japonica (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Rohdea Japonica (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Ruellia Tuberosa (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Sabia Japonica (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Sagina Japonica (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Salix Japonica (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Saussurea Japonica (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Scopolia Japonica (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Skimmia Japonica (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Spergula Japonica (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Spiraea Japonica (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Stemona Cochinchinensis (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Stemona Collinsae (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
105. Outgoing r'ship FOUND_IN to/from Stemona Kerrii (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Stemona Parviflora (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Stemona Sessilifolia (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Stemona Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
109. Outgoing r'ship FOUND_IN to/from Stephania Japonica (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Ternstroemia Japonica (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Tilia Japonica (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Torilis Japonica (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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Stemonidine

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Phytochemical Properties

Associated Connections 115

Plant Connections 115