Surangin A

PubChem CID: 5321563

Connections displayed (default: 10).

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Compound Synonyms	Surangin A, 28590-77-4, AK-693/21141014
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCC2CCCCC2C1
Np Classifier Class	Simple coumarins
Deep Smiles	CCCccc=O)occ6cO)cC/C=C/CCC=CC)C)))))C))))cc6C=O)CCC))C))))O
Heavy Atom Count	32.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	OC1CCC2CCCCC2O1
Classyfire Subclass	Terpene lactones
Isotope Atom Count	0.0
Molecular Complexity	758.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-propylchromen-2-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	7.5
Gsk 4 400 Rule	False
Molecular Formula	C27H36O5
Scaffold Graph Node Bond Level	O=c1ccc2ccccc2o1
Prediction Swissadme	0.0
Inchi Key	HTVCZGDEKPMUHH-GHRIWEEISA-N
Silicos It Class	Poorly soluble
Fcsp3	0.4814814814814814
Logs	-4.154
Rotatable Bond Count	10.0
Logd	4.617
Synonyms	surangin a
Esol Class	Poorly soluble
Functional Groups	C/C=C(/C)C, CC=C(C)C, c=O, cC(C)=O, cO, coc
Compound Name	Surangin A
Prediction Hob Swissadme	0.0
Exact Mass	440.256
Formal Charge	0.0
Monoisotopic Mass	440.256
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	440.6
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	True
Esol	-6.433146000000002
Inchi	InChI=1S/C27H36O5/c1-7-10-19-15-21(28)32-27-22(19)25(30)20(14-13-17(5)12-9-11-16(3)4)26(31)23(27)24(29)18(6)8-2/h11,13,15,18,30-31H,7-10,12,14H2,1-6H3/b17-13+
Smiles	CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)C(C)CC)O)C/C=C(\C)/CCC=C(C)C)O
Nring	2.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	1.0
Egan Rule	False
Np Classifier Superclass	Coumarins

1. Outgoing r'ship FOUND_IN to/from Abutilon Indicum (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Apocynum Cannabinum (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Arthrocnemum Indicum (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Bryodesma Indicum (Plant) Rel Props:Reference:
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7. Outgoing r'ship FOUND_IN to/from Chrysanthellum Indicum (Plant) Rel Props:Reference:
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20. Outgoing r'ship FOUND_IN to/from Eupatorium Birmanicum (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Eupatorium Cannabinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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39. Outgoing r'ship FOUND_IN to/from Eupatorium Mikanioides (Plant) Rel Props:Reference:
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41. Outgoing r'ship FOUND_IN to/from Eupatorium Odoratum (Plant) Rel Props:Reference:
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43. Outgoing r'ship FOUND_IN to/from Eupatorium Rebaudianum (Plant) Rel Props:Reference:
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50. Outgoing r'ship FOUND_IN to/from Eupatorium Subhastatum (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Eupatorium Urticaefolium (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Gnaphalium Indicum (Plant) Rel Props:Reference:
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54. Outgoing r'ship FOUND_IN to/from Heliophylum Indicum (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Heliotropium Amplexicaule (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Heliotropium Angiospermum (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Heliotropium Arborescens (Plant) Rel Props:Reference:
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59. Outgoing r'ship FOUND_IN to/from Heliotropium Bacciferum (Plant) Rel Props:Reference:
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62. Outgoing r'ship FOUND_IN to/from Heliotropium Curassavicum (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Heliotropium Currassavicum (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Heliotropium Digynum (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Heliotropium Eichwaldi (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Heliotropium Eichwaldii (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Heliotropium Ellipticum (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Heliotropium Europaeum (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Heliotropium Europeum (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Heliotropium Floridum (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Heliotropium Glutinosum (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Heliotropium Hirsutissimum (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Heliotropium Hirsutum (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Heliotropium Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
75. Outgoing r'ship FOUND_IN to/from Heliotropium Keralens (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Heliotropium Keralense (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Heliotropium Lasiocarpum (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Heliotropium Marifolium (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Heliotropium Olgae (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Heliotropium Ovalifolium (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Heliotropium Ramosissimum (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Heliotropium Rotundifolium (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Heliotropium Scabrum (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Heliotropium Steudneri (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Heliotropium Strigosum (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Heliotropium Subulatum (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Heliotropium Supinum (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Heliotropium Tuberculosum (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Heliotropium Zeylanicum (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Limeum Indicum (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Limnanthemum Indicum (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Mammea Longifolia (Plant) Rel Props:Reference:ISBN:9788185042053
93. Outgoing r'ship FOUND_IN to/from Mammea Suriga (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172363178; ISBN:9788185042053
94. Outgoing r'ship FOUND_IN to/from Melanthium Indicum (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Melilotus Indicum (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Nasturtium Indicum (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Nerium Indicum (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Nymphoides Indicum (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Oroxylum Indicum (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Pentanema Indicum (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Phyllocephalum Indicum (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Poeciloneuron Indicum (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Sandoricum Indicum (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Sapium Indicum (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Sesamum Indicum (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Seseli Indicum (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Solanum Indicum (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Tiaridium Indicum (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Trichodesma Indicum (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Tricodesma Indicum (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Xanthium Indicum (Plant) Rel Props:Reference:

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Surangin A

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Phytochemical Properties

Associated Connections 111

Plant Connections 111