3beta-Hydroxy-4alpha,14alpha-dimethyl-5alpha-ergosta-8,24(28)-dien-7,11-dione

PubChem CID: 15478800

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL479506, 3beta-hydroxy-4alpha,14alpha-dimethyl-5alpha-ergosta-8,24(28)-dien-7,11-dione
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	33.0
Isotope Atom Count	0.0
Molecular Complexity	896.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	8.0
Uniprot Id	P08183
Iupac Name	(3S,4S,5S,10S,13R,14R,17R)-3-hydroxy-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,5,6,12,15,16,17-decahydrocyclopenta[a]phenanthrene-7,11-dione
Prediction Hob	0.0
Xlogp	7.2
Molecular Formula	C30H46O3
Prediction Swissadme	0.0
Inchi Key	XIWAXCVYESPHGW-CVKDLIDTSA-N
Fcsp3	0.8
Logs	-6.065
Rotatable Bond Count	5.0
Logd	5.215
Compound Name	3beta-Hydroxy-4alpha,14alpha-dimethyl-5alpha-ergosta-8,24(28)-dien-7,11-dione
Prediction Hob Swissadme	0.0
Exact Mass	454.345
Formal Charge	0.0
Monoisotopic Mass	454.345
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	454.7
Covalent Unit Count	1.0
Total Atom Stereocenter Count	8.0
Total Bond Stereocenter Count	0.0
Esol	-6.865109000000002
Inchi	InChI=1S/C30H46O3/c1-17(2)18(3)9-10-19(4)21-11-14-29(7)27-24(32)15-22-20(5)23(31)12-13-28(22,6)26(27)25(33)16-30(21,29)8/h17,19-23,31H,3,9-16H2,1-2,4-8H3/t19-,20+,21-,22+,23+,28+,29+,30-/m1/s1
Smiles	C[C@@H]1[C@H](CC[C@]2([C@H]1CC(=O)C3=C2C(=O)C[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC(=C)C(C)C)C)C)C)O
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Chamaesyce Hirta (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Dugdhik Euphorbia (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Euphorbia Acaulis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Euphorbia Aellenii (Plant) Rel Props:Reference:
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6. Outgoing r'ship FOUND_IN to/from Euphorbia Antiquorum (Plant) Rel Props:Reference:
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8. Outgoing r'ship FOUND_IN to/from Euphorbia Atoto (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Euphorbia Balsamifera (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Euphorbia Barnhartii (Plant) Rel Props:Reference:
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15. Outgoing r'ship FOUND_IN to/from Euphorbia Cattimandoo (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Euphorbia Chamaesyce (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
17. Outgoing r'ship FOUND_IN to/from Euphorbia Characias (Plant) Rel Props:Reference:
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39. Outgoing r'ship FOUND_IN to/from Euphorbia Humifusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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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:
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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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3beta-Hydroxy-4alpha,14alpha-dimethyl-5alpha-ergosta-8,24(28)-dien-7,11-dione

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Phytochemical Properties

Associated Connections 117

Plant Connections 117