Auriculasin

PubChem CID: 5358846

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Compound Synonyms	AURICULASIN, 60297-37-2, Cudraisoflavone A, 7-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one, DTXSID50418510, NSC285656, 7-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano(3,2-g)chromen-6-one, CHEMBL459129, SCHEMBL25989454, DTXCID70369358, CHEBI:178564, HY-N2911, KCA29737, BDBM50442400, LMPK12050247, AKOS040761390, FS-8648, NSC 285656, NSC-285656, DA-61321, CS-0023510, 7-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methyl-2-buten-1-yl)-2h,6h-pyrano[3,2-g]chromen-6-one, NCGC00384963-01!7-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	96.2
Hydrogen Bond Donor Count	3.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1C(C2CCCCC2)CCC2CC3CCCCC3CC21
Np Classifier Class	Isoflavones
Deep Smiles	CC=CCccOCC)C)C=Cc6ccc%10occc6=O))cccccc6)O))O))))))))))O)))))))))))C
Heavy Atom Count	31.0
Classyfire Class	Isoflavonoids
Scaffold Graph Node Level	OC1C(C2CCCCC2)COC2CC3OCCCC3CC21
Classyfire Subclass	Isoflavans
Isotope Atom Count	0.0
Molecular Complexity	792.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P10481, P18031
Iupac Name	7-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Target Id	NPT178
Xlogp	5.5
Gsk 4 400 Rule	False
Molecular Formula	C25H24O6
Scaffold Graph Node Bond Level	O=c1c(-c2ccccc2)coc2cc3c(cc12)C=CCO3
Prediction Swissadme	0.0
Inchi Key	PSEBCAMYGWGJMH-UHFFFAOYSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.24
Logs	-2.27
Rotatable Bond Count	3.0
Logd	3.445
Synonyms	auriculasin, cudraisoflavone a
Esol Class	Poorly soluble
Functional Groups	CC=C(C)C, c=O, cC=CC, cO, cOC, coc
Compound Name	Auriculasin
Prediction Hob Swissadme	0.0
Exact Mass	420.157
Formal Charge	0.0
Monoisotopic Mass	420.157
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	420.5
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-5.610693683870968
Inchi	InChI=1S/C25H24O6/c1-13(2)5-7-16-23-15(9-10-25(3,4)31-23)21(28)20-22(29)17(12-30-24(16)20)14-6-8-18(26)19(27)11-14/h5-6,8-12,26-28H,7H2,1-4H3
Smiles	CC(=CCC1=C2C(=C(C3=C1OC=C(C3=O)C4=CC(=C(C=C4)O)O)O)C=CC(O2)(C)C)C
Nring	4.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Isoflavonoids

1. Outgoing r'ship FOUND_IN to/from Angelica Taiwaniana (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Anthotroche Myoporoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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56. Outgoing r'ship FOUND_IN to/from Astragalus Zahlbruckneri (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Catananche Caerulea (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Duboisia Myoporoides (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Erythrina Abyssinica (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Erythrina Americana (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Erythrina Arborescens (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Erythrina Berteroana (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Erythrina Burttii (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Erythrina Chiriquensis (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Erythrina Folkersii (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Erythrina Fusca (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Erythrina Glauca (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Erythrina Hypaphorus (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Erythrina Latissima (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Erythrina Lithosperma (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Erythrina Lysistemon (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Erythrina Melanacantha (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Erythrina Orientalis (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Erythrina Pallida (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Erythrina Poeppigiana (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Erythrina Resupinata (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Erythrina Sacleuxii (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Erythrina Salviiflora (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Erythrina Sandwicensis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Erythrina Senegalensis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Erythrina Sigmoidea (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Erythrina Speciosa (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Erythrina Stricta (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Erythrina Suberosa (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Erythrina Subumbrans (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Erythrina Variegata (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Erythrina Variegate (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Erythrina Vogelii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
89. Outgoing r'ship FOUND_IN to/from Flemingia Bracteata (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Flemingia Chappar (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Flemingia Congesta (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Flemingia Grahamiana (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Flemingia Macrophylla (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Flemingia Nana (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Flemingia Paniculata (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Flemingia Philippinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
97. Outgoing r'ship FOUND_IN to/from Flemingia Procumbens (Plant) Rel Props:Reference:
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99. Outgoing r'ship FOUND_IN to/from Flemingia Rhodocarpa (Plant) Rel Props:Reference:
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103. Outgoing r'ship FOUND_IN to/from Helenium Amarum (Plant) Rel Props:Reference:
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116. Outgoing r'ship FOUND_IN to/from Heliotropium Amplexicaule (Plant) Rel Props:Reference:
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125. Outgoing r'ship FOUND_IN to/from Heliotropium Digynum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
126. Outgoing r'ship FOUND_IN to/from Heliotropium Eichwaldi (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Heliotropium Eichwaldii (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Heliotropium Ellipticum (Plant) Rel Props:Reference:
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131. Outgoing r'ship FOUND_IN to/from Heliotropium Floridum (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Heliotropium Glutinosum (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Heliotropium Hirsutissimum (Plant) Rel Props:Reference:
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142. Outgoing r'ship FOUND_IN to/from Heliotropium Ramosissimum (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Heliotropium Rotundifolium (Plant) Rel Props:Reference:
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149. Outgoing r'ship FOUND_IN to/from Heliotropium Tuberculosum (Plant) Rel Props:Reference:
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151. Outgoing r'ship FOUND_IN to/from Hypericum Ancherii (Plant) Rel Props:Reference:
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153. Outgoing r'ship FOUND_IN to/from Hypericum Annulatum (Plant) Rel Props:Reference:
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156. Outgoing r'ship FOUND_IN to/from Hypericum Balearicum (Plant) Rel Props:Reference:
157. Outgoing r'ship FOUND_IN to/from Hypericum Calycinum (Plant) Rel Props:Reference:
158. Outgoing r'ship FOUND_IN to/from Hypericum Caprifoliatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
159. Outgoing r'ship FOUND_IN to/from Hypericum Carinatum (Plant) Rel Props:Reference:
160. Outgoing r'ship FOUND_IN to/from Hypericum Chinense (Plant) Rel Props:Reference:
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162. Outgoing r'ship FOUND_IN to/from Hypericum Degenii (Plant) Rel Props:Reference:
163. Outgoing r'ship FOUND_IN to/from Hypericum Drummondii (Plant) Rel Props:Reference:
164. Outgoing r'ship FOUND_IN to/from Hypericum Elodeoides (Plant) Rel Props:Reference:
165. Outgoing r'ship FOUND_IN to/from Hypericum Erectum (Plant) Rel Props:Reference:
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172. Outgoing r'ship FOUND_IN to/from Hypericum Humifusum (Plant) Rel Props:Reference:
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175. Outgoing r'ship FOUND_IN to/from Hypericum Laricifolium (Plant) Rel Props:Reference:
176. Outgoing r'ship FOUND_IN to/from Hypericum Monanthemum (Plant) Rel Props:Reference:
177. Outgoing r'ship FOUND_IN to/from Hypericum Monogynum (Plant) Rel Props:Reference:
178. Outgoing r'ship FOUND_IN to/from Hypericum Mysorense (Plant) Rel Props:Reference:
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180. Outgoing r'ship FOUND_IN to/from Hypericum Oblongifolium (Plant) Rel Props:Reference:
181. Outgoing r'ship FOUND_IN to/from Hypericum Olympicum (Plant) Rel Props:Reference:
182. Outgoing r'ship FOUND_IN to/from Hypericum Papuanum (Plant) Rel Props:Reference:
183. Outgoing r'ship FOUND_IN to/from Hypericum Patulum (Plant) Rel Props:Reference:
184. Outgoing r'ship FOUND_IN to/from Hypericum Perforatum (Plant) Rel Props:Reference:
185. Outgoing r'ship FOUND_IN to/from Hypericum Polyanthemum (Plant) Rel Props:Reference:
186. Outgoing r'ship FOUND_IN to/from Hypericum Prolificum (Plant) Rel Props:Reference:
187. Outgoing r'ship FOUND_IN to/from Hypericum Reflexum (Plant) Rel Props:Reference:
188. Outgoing r'ship FOUND_IN to/from Hypericum Reptans (Plant) Rel Props:Reference:
189. Outgoing r'ship FOUND_IN to/from Hypericum Revolutum (Plant) Rel Props:Reference:
190. Outgoing r'ship FOUND_IN to/from Hypericum Sampsonii (Plant) Rel Props:Reference:
191. Outgoing r'ship FOUND_IN to/from Hypericum Scabrum (Plant) Rel Props:Reference:
192. Outgoing r'ship FOUND_IN to/from Hypericum Sikokumontanum (Plant) Rel Props:Reference:
193. Outgoing r'ship FOUND_IN to/from Hypericum Styphelioides (Plant) Rel Props:Reference:
194. Outgoing r'ship FOUND_IN to/from Hypericum Triquetrifolium (Plant) Rel Props:Reference:
195. Outgoing r'ship FOUND_IN to/from Hypericum Uralum (Plant) Rel Props:Reference:
196. Outgoing r'ship FOUND_IN to/from Indigofera Caerulea (Plant) Rel Props:Reference:
197. Outgoing r'ship FOUND_IN to/from Inula Helenium (Plant) Rel Props:Reference:
198. Outgoing r'ship FOUND_IN to/from Juniperus Taiwaniana (Plant) Rel Props:Reference:
199. Outgoing r'ship FOUND_IN to/from Lepidium Virginicum (Plant) Rel Props:Reference:
200. Outgoing r'ship FOUND_IN to/from Lonicera Caerulea (Plant) Rel Props:Reference:
201. Outgoing r'ship FOUND_IN to/from Maclura Cochinchinensis (Plant) Rel Props:Reference:ISBN:9788172362133
202. Outgoing r'ship FOUND_IN to/from Maclura Pomifera (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16600547
203. Outgoing r'ship FOUND_IN to/from Mallotus Philippinensis (Plant) Rel Props:Reference:
204. Outgoing r'ship FOUND_IN to/from Millettia Auriculata (Plant) Rel Props:Reference:
205. Outgoing r'ship FOUND_IN to/from Millettia Brandisiana (Plant) Rel Props:Reference:
206. Outgoing r'ship FOUND_IN to/from Millettia Conraui (Plant) Rel Props:Reference:
207. Outgoing r'ship FOUND_IN to/from Millettia Erythrocalyx (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Millettia Extensa (Plant) Rel Props:Source_db:npass_chem_all
209. Outgoing r'ship FOUND_IN to/from Millettia Ferruginea (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Millettia Ichthyochtona (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Millettia Laurentii (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Millettia Nitida (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Millettia Pachycarpa (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Millettia Peguensis (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Millettia Piscidia (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Millettia Racemosa (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Millettia Reticulata (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Millettia Rubiginosa (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Millettia Stuhlmannii (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Millettia Zechiana (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Nannoglottis Ravida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
222. Outgoing r'ship FOUND_IN to/from Napoleonaea Vogelii (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Nymphaea Caerulea (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Passiflora Caerulea (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Podocarpus Philippinensis (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Tephrosia Vogelii (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Trigonella Caerulea (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Veronicastrum Virginicum (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 228

Plant Connections 228