Trigoforin

PubChem CID: 12267346

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Compound Synonyms	Trigoforin, 3,4,7-trimethylcoumarin, 14002-93-8, 3,4,7-Trimethyl-2H-1-benzopyran-2-one, 3,4,7-TRIMETHYLCHROMEN-2-ONE, 3,4,7-trimethylcou-marin, Y4UNV6Q7L2, Coumarin, 3,4,7-trimethyl-, SCHEMBL3682321, CHEBI:191532, DTXSID501288707, 3,4,7-trimethyl-2H-chromen-2-one, 2H-1-Benzopyran-2-one, 3,4,7-trimethyl-
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCC2CCCCC2C1
Np Classifier Class	Simple coumarins
Deep Smiles	Ccccccc6)oc=O)cc6C))C
Heavy Atom Count	14.0
Classyfire Class	Coumarins and derivatives
Description	Constituent of Trigonella foenum-graecum (fenugreek). Trigoforin is found in herbs and spices and fenugreek.
Scaffold Graph Node Level	OC1CCC2CCCCC2O1
Isotope Atom Count	0.0
Molecular Complexity	291.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	3,4,7-trimethylchromen-2-one
Prediction Hob	1.0
Class	Coumarins and derivatives
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	2.6
Superclass	Phenylpropanoids and polyketides
Gsk 4 400 Rule	True
Molecular Formula	C12H12O2
Scaffold Graph Node Bond Level	O=c1ccc2ccccc2o1
Prediction Swissadme	0.0
Inchi Key	KAFSSZHADPCOBG-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.25
Logs	-4.488
Rotatable Bond Count	0.0
State	Solid
Logd	3.256
Synonyms	3,4,7-Trimethylcoumarin, Trigoforin, trigoforin, trigoforin(3,4,7-trimethylcoumarin), trigoforin)3,4,7-trimethylcoumarin)
Substituent Name	Coumarin, 1-benzopyran, Benzopyran, Nitrotoluene, Pyranone, Benzenoid, Pyran, Heteroaromatic compound, Lactone, Oxacycle, Organoheterocyclic compound, Monocarboxylic acid or derivatives, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound
Esol Class	Soluble
Functional Groups	c=O, coc
Compound Name	Trigoforin
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	188.084
Formal Charge	0.0
Monoisotopic Mass	188.084
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	188.22
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteropolycyclic compounds
Lipinski Rule Of 5	True
Esol	-3.0475726285714284
Inchi	InChI=1S/C12H12O2/c1-7-4-5-10-8(2)9(3)12(13)14-11(10)6-7/h4-6H,1-3H3
Smiles	CC1=CC2=C(C=C1)C(=C(C(=O)O2)C)C
Nring	2.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Coumarins and derivatives
Np Classifier Superclass	Coumarins

1. Outgoing r'ship FOUND_IN to/from Acacia Indica (Plant) Rel Props:Reference:
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54. Outgoing r'ship FOUND_IN to/from Croton Malabaricus (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Croton Megistocarpus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
56. Outgoing r'ship FOUND_IN to/from Croton Montevidensis (Plant) Rel Props:Reference:
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60. Outgoing r'ship FOUND_IN to/from Croton Penduliflorus (Plant) Rel Props:Reference:
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64. Outgoing r'ship FOUND_IN to/from Croton Regelianus (Plant) Rel Props:Reference:
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69. Outgoing r'ship FOUND_IN to/from Croton Steenkampianus (Plant) Rel Props:Reference:
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71. Outgoing r'ship FOUND_IN to/from Croton Tiglium (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Croton Tonkinensis (Plant) Rel Props:Reference:
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77. Outgoing r'ship FOUND_IN to/from Croton Zeylanicum (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Cryptolepis Indica (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Dalechampia Indica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Derris Indica (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Dillenia Indica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Dorstenia Indica (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Drimia Indica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Drosera Indica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Duchesnea Indica (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Elaeagnus Indica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Eleusine Indica (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Erythirna Indica (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Euphorbia Indica (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Fagonia Indica (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Ficus Indica (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Flacourtia Indica (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Flagellaria Indica (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Fragaria Indica (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Fumaria Indica (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Garcinia Indica (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Geranium Carolinianum (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Geranium Collinum (Plant) Rel Props:Reference:
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107. Outgoing r'ship FOUND_IN to/from Geranium Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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128. Outgoing r'ship FOUND_IN to/from Limnophila Indica (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Lindenbergia Indica (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Macaranga Indica (Plant) Rel Props:Reference:
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139. Outgoing r'ship FOUND_IN to/from Morus Indica (Plant) Rel Props:Reference:
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147. Outgoing r'ship FOUND_IN to/from Persea Kusanoi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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155. Outgoing r'ship FOUND_IN to/from Polygonatum Sibiricum (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Pouzolzia Indica (Plant) Rel Props:Reference:
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172. Outgoing r'ship FOUND_IN to/from Senecio Abrotanifolius (Plant) Rel Props:Reference:
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202. Outgoing r'ship FOUND_IN to/from Senecio Isatideus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
203. Outgoing r'ship FOUND_IN to/from Senecio Jacobaea (Plant) Rel Props:Reference:
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208. Outgoing r'ship FOUND_IN to/from Senecio Longifolius (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Senecio Macrocephalus (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Senecio Macrophyllus (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Senecio Madagascariensis (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Senecio Mexicanus (Plant) Rel Props:Reference:
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215. Outgoing r'ship FOUND_IN to/from Senecio Nemorensis (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Senecio Nudicaulis (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Senecio Oryzetorum (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Senecio Othonniformis (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Senecio Paludaffinis (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Senecio Paucicazyculatus (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Senecio Platyphylloides (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Senecio Platyphyllus (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Senecio Polyodon (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Senecio Praecox (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Senecio Pyramidatus (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Senecio Quinquelobus (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Senecio Renardii (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Senecio Retrorsus (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Senecio Rivularis (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Senecio Roseus (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Senecio Rosmarinifolius (Plant) Rel Props:Reference:
232. Outgoing r'ship FOUND_IN to/from Senecio Rufinervis (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Senecio Rupestris (Plant) Rel Props:Reference:
234. Outgoing r'ship FOUND_IN to/from Senecio Ruwenzoriensis (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Senecio Sandersonii (Plant) Rel Props:Reference:
236. Outgoing r'ship FOUND_IN to/from Senecio Scandens (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Senecio Sinuatus (Plant) Rel Props:Reference:
238. Outgoing r'ship FOUND_IN to/from Senecio Speciosus (Plant) Rel Props:Reference:
239. Outgoing r'ship FOUND_IN to/from Senecio Squalidus (Plant) Rel Props:Reference:
240. Outgoing r'ship FOUND_IN to/from Senecio Suaveolens (Plant) Rel Props:Reference:
241. Outgoing r'ship FOUND_IN to/from Senecio Subdentatus (Plant) Rel Props:Reference:
242. Outgoing r'ship FOUND_IN to/from Senecio Taiwanensis (Plant) Rel Props:Reference:
243. Outgoing r'ship FOUND_IN to/from Senecio Tenuifolius (Plant) Rel Props:Reference:
244. Outgoing r'ship FOUND_IN to/from Senecio Tibeticus (Plant) Rel Props:Reference:
245. Outgoing r'ship FOUND_IN to/from Senecio Toluccanus (Plant) Rel Props:Reference:
246. Outgoing r'ship FOUND_IN to/from Senecio Tricephalus (Plant) Rel Props:Reference:
247. Outgoing r'ship FOUND_IN to/from Senecio Variabilis (Plant) Rel Props:Reference:
248. Outgoing r'ship FOUND_IN to/from Senecio Vellereus (Plant) Rel Props:Reference:
249. Outgoing r'ship FOUND_IN to/from Senecio Viscosus (Plant) Rel Props:Reference:
250. Outgoing r'ship FOUND_IN to/from Senecio Vulgaris (Plant) Rel Props:Reference:
251. Outgoing r'ship FOUND_IN to/from Senecio Zoellneri (Plant) Rel Props:Reference:
252. Outgoing r'ship FOUND_IN to/from Seseli Sibiricum (Plant) Rel Props:Reference:
253. Outgoing r'ship FOUND_IN to/from Shirakiopsis Indica (Plant) Rel Props:Reference:
254. Outgoing r'ship FOUND_IN to/from Silene Indica (Plant) Rel Props:Reference:
255. Outgoing r'ship FOUND_IN to/from Sinocrassula Indica (Plant) Rel Props:Reference:
256. Outgoing r'ship FOUND_IN to/from Stachytarpheta Indica (Plant) Rel Props:Reference:
257. Outgoing r'ship FOUND_IN to/from Strobilanthes Cusia (Plant) Rel Props:Reference:
258. Outgoing r'ship FOUND_IN to/from Tamarindus Indica (Plant) Rel Props:Reference:
259. Outgoing r'ship FOUND_IN to/from Tamarix Indica (Plant) Rel Props:Reference:
260. Outgoing r'ship FOUND_IN to/from Tanacetum Sibiricum (Plant) Rel Props:Reference:
261. Outgoing r'ship FOUND_IN to/from Tetracera Indica (Plant) Rel Props:Reference:
262. Outgoing r'ship FOUND_IN to/from Trigonella Balansae (Plant) Rel Props:Reference:
263. Outgoing r'ship FOUND_IN to/from Trigonella Caerulea (Plant) Rel Props:Reference:
264. Outgoing r'ship FOUND_IN to/from Trigonella Corniculata (Plant) Rel Props:Reference:
265. Outgoing r'ship FOUND_IN to/from Trigonella Emodi (Plant) Rel Props:Reference:
266. Outgoing r'ship FOUND_IN to/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
267. Outgoing r'ship FOUND_IN to/from Trigonella Grandiflora (Plant) Rel Props:Reference:
268. Outgoing r'ship FOUND_IN to/from Trigonella Incisa (Plant) Rel Props:Reference:
269. Outgoing r'ship FOUND_IN to/from Trigonella Occulta (Plant) Rel Props:Reference:
270. Outgoing r'ship FOUND_IN to/from Tylophora Indica (Plant) Rel Props:Reference:
271. Outgoing r'ship FOUND_IN to/from Vateria Indica (Plant) Rel Props:Reference:
272. Outgoing r'ship FOUND_IN to/from Veronicastrum Sibiricum (Plant) Rel Props:Reference:
273. Outgoing r'ship FOUND_IN to/from Vicoa Indica (Plant) Rel Props:Reference:
274. Outgoing r'ship FOUND_IN to/from Vitis Indica (Plant) Rel Props:Reference:
275. Outgoing r'ship FOUND_IN to/from Waltheria Indica (Plant) Rel Props:Reference:
276. Outgoing r'ship FOUND_IN to/from Wikstroemia Indica (Plant) Rel Props:Reference:
277. Outgoing r'ship FOUND_IN to/from Xanthium Sibiricum (Plant) Rel Props:Reference:
278. Outgoing r'ship FOUND_IN to/from Xyris Indica (Plant) Rel Props:Reference:
279. Outgoing r'ship FOUND_IN to/from Zanonia Indica (Plant) Rel Props:Reference:

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Associated Connections 279

Plant Connections 279