Euphoscopin C

PubChem CID: 15628016

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Compound Synonyms	euphoscopin C, 87064-59-3, [(1S,2R,3aR,4R,5R,6E,11R,12E,13aS)-3a,4-diacetyloxy-1-benzoyloxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-11-yl] benzoate, ((1S,2R,3aR,4R,5R,6E,11R,12E,13aS)-3a,4-diacetyloxy-1-benzoyloxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta(12)annulen-11-yl) benzoate, (2S,3S,3AR,6R,12R,13S,13ar)-13,13a-bis(acetyloxy)-3-(benzoyloxy)-2,5,9,9,12-pentamethyl-8-oxo-1H,2H,3H,3ah,6H,7H,8H,9H,12H,13H,13ah-cyclopenta(12)annulen-6-yl benzoic acid, (2S,3S,3AR,6R,12R,13S,13ar)-13,13a-bis(acetyloxy)-3-(benzoyloxy)-2,5,9,9,12-pentamethyl-8-oxo-1H,2H,3H,3ah,6H,7H,8H,9H,12H,13H,13ah-cyclopenta[12]annulen-6-yl benzoic acid, CHEMBL506068, HY-143283, CS-0434349, (2r,3s,3As,4e,6r,10e,12r,13r,13ar)-13,13a-bis(acetyloxy)-3,6-bis(benzoyloxy)-1,2,3,3a,6,7,9,12,13,13a-decahydro-2,5,9,9,12-pentamethyl-8H-cyclopentacyclododecen-8-one
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	122.0
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCCCCC2CCC(CC(C)C3CCCCC3)C2CCC(CC(C)C2CCCCC2)C1
Np Classifier Class	Jatrophane diterpenoids
Deep Smiles	CC=O)O[C@@H][C@H]C)/C=C/CC)C)C=O)C[C@H]/C=C/[C@@H][C@]%12OC=O)C)))C[C@H][C@@H]5OC=O)cccccc6)))))))))C))))))/C))OC=O)cccccc6
Heavy Atom Count	47.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	OC1CCCCCC2CCC(OC(O)C3CCCCC3)C2CCC(OC(O)C2CCCCC2)C1
Classyfire Subclass	Diterpenoids
Isotope Atom Count	0.0
Molecular Complexity	1240.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	7.0
Iupac Name	[(1S,2R,3aR,4R,5R,6E,11R,12E,13aS)-3a,4-diacetyloxy-1-benzoyloxy-2,5,8,8,12-pentamethyl-9-oxo-1,2,3,4,5,10,11,13a-octahydrocyclopenta[12]annulen-11-yl] benzoate
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	6.5
Gsk 4 400 Rule	False
Molecular Formula	C38H44O9
Scaffold Graph Node Bond Level	O=C1CC=CCCC2CCC(OC(=O)c3ccccc3)C2C=CC(OC(=O)c2ccccc2)C1
Prediction Swissadme	0.0
Inchi Key	ZMQZEEAERZPRGX-CFAJCEJWSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.4473684210526316
Logs	-4.945
Rotatable Bond Count	10.0
Logd	3.401
Synonyms	euphoscopin c
Esol Class	Poorly soluble
Functional Groups	C/C(C)=CC, C/C=C/C, CC(=O)OC, CC(C)=O, cC(=O)OC
Compound Name	Euphoscopin C
Prediction Hob Swissadme	0.0
Exact Mass	644.299
Formal Charge	0.0
Monoisotopic Mass	644.299
Hydrogen Bond Acceptor Count	9.0
Molecular Weight	644.7
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	7.0
Total Bond Stereocenter Count	2.0
Lipinski Rule Of 5	False
Esol	-7.461454370212767
Inchi	InChI=1S/C38H44O9/c1-23-18-19-37(6,7)32(41)21-31(45-35(42)28-14-10-8-11-15-28)24(2)20-30-33(46-36(43)29-16-12-9-13-17-29)25(3)22-38(30,47-27(5)40)34(23)44-26(4)39/h8-20,23,25,30-31,33-34H,21-22H2,1-7H3/b19-18+,24-20+/t23-,25-,30+,31-,33+,34-,38-/m1/s1
Smiles	C[C@@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)/C=C(/[C@@H](CC(=O)C(/C=C/[C@H]([C@H]2OC(=O)C)C)(C)C)OC(=O)C4=CC=CC=C4)\C)OC(=O)C
Nring	4.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	2.0
Egan Rule	False
Np Classifier Superclass	Diterpenoids

1. Outgoing r'ship FOUND_IN to/from Annona Squamosa (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Dugdhik Euphorbia (Plant) Rel Props:Reference:
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4. Outgoing r'ship FOUND_IN to/from Euphorbia Aellenii (Plant) Rel Props:Reference:
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34. Outgoing r'ship FOUND_IN to/from Euphorbia Helioscopia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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47. Outgoing r'ship FOUND_IN to/from Euphorbia Jolkinii (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Euphorbia Kamerunica (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Euphorbia Kansui (Plant) Rel Props:Reference:
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51. Outgoing r'ship FOUND_IN to/from Euphorbia Lactea (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Euphorbia Laeta (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Euphorbia Lagascae (Plant) Rel Props:Reference:
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55. Outgoing r'ship FOUND_IN to/from Euphorbia Latazi (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Euphorbia Lathyris (Plant) Rel Props:Reference:
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58. Outgoing r'ship FOUND_IN to/from Euphorbia Longan (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Euphorbia Lunulata (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Euphorbia Maculata (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Euphorbia Maddenii (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Euphorbia Makinoi (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Euphorbia Marginata (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Euphorbia Micractina (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Euphorbia Microphylla (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Euphorbia Milii (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Euphorbia Myrsinites (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Euphorbia Nematocypha (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Euphorbia Neriifolia (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Euphorbia Nerrifolia (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Euphorbia Nivulia (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Euphorbia Officinarum (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Euphorbia Onicrophylla (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Euphorbia Orbiculata (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Euphorbia Pallens (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Euphorbia Palustris (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Euphorbia Pannonica (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Euphorbia Paralias (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Euphorbia Pekinensis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Euphorbia Peplus (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Euphorbia Pilosa (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Euphorbia Pilulifera (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Euphorbia Pithyusa (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Euphorbia Poisonii (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Euphorbia Polygonifolia (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Euphorbia Portlandica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Euphorbia Prolifera (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Euphorbia Prostrata (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Euphorbia Pubescens (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Euphorbia Pulcherrima (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Euphorbia Quinquecostata (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Euphorbia Resinifera (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Euphorbia Retusa (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Euphorbia Rosea (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Euphorbia Rothiana (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Euphorbia Royleana (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Euphorbia Sancta (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Euphorbia Sapinii (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Euphorbia Segetalis (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Euphorbia Serpens (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Euphorbia Sieboldiana (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Euphorbia Sikkimensis (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Euphorbia Splendens (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Euphorbia Stepposa (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Euphorbia Stracheyi (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Euphorbia Supina (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Euphorbia Thomsoniana (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Euphorbia Thymifolia (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Euphorbia Tibetica (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Euphorbia Tirucalli (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Euphorbia Tithymaloides (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Euphorbia Tortilis (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Euphorbia Trigona (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Euphorbia Turczaninowii (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Euphorbia Umbellata (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Euphorbia Wallichii (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Euphorbia Wangii (Plant) Rel Props:Reference:

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Euphoscopin C

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Phytochemical Properties

Associated Connections 117

Plant Connections 117