Gentisin

PubChem CID: 5281636

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Compound Synonyms	Gentisin, 437-50-3, Gentianin, Gentisine, 1,7-dihydroxy-3-methoxy-9H-xanthen-9-one, 1,7-Dihydroxy-3-methoxyxanthen-9-one, GENTIANIC ACID, 1,7-Dihydroxy-3-methoxyxanthone, 4,7-Dihydroxy-2-methoxyxanthone, 9H-Xanthen-9-one, 1,7-dihydroxy-3-methoxy-, CCRIS 3151, CHEBI:5324, Gentiin, UNII-K57MOP2HM0, EINECS 207-114-1, K57MOP2HM0, BRN 0384788, Xanthen-9-one, 1,7-dihydroxy-3-methoxy-, CHEMBL3093478, DTXSID20195907, 1,7-dihydroxy-3-methoxy-xanthen-9-one, Gentianin?, MFCD00075947, GENTISIN [MI], SCHEMBL996402, 1,7-dihydroxy-3-methoxyanthone, DTXCID20118398, XOXYHGOIRWABTC-UHFFFAOYSA-N, BCP17139, HY-N4279, BDBM50611835, AKOS024258078, DA-63740, MS-23634, CS-0032629, NS00031362, A11259, A1-01883, Q27106720, 1,7-Dihydroxy-3-methoxyxanthone, 1,7-Dihydroxy-3-methoxyxanthen-9-one, 207-114-1
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	76.0
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	CC1C2CCCCC2CC2CCCCC21
Np Classifier Class	Plant xanthones
Deep Smiles	COcccO)ccc6)occc6=O))cccc6))O
Heavy Atom Count	19.0
Classyfire Class	Benzopyrans
Scaffold Graph Node Level	OC1C2CCCCC2OC2CCCCC21
Classyfire Subclass	1-benzopyrans
Isotope Atom Count	0.0
Molecular Complexity	358.0
Database Name	cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	n.a.
Iupac Name	1,7-dihydroxy-3-methoxyxanthen-9-one
Prediction Hob	1.0
Class	Benzopyrans
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	2.8
Superclass	Organoheterocyclic compounds
Subclass	1-benzopyrans
Gsk 4 400 Rule	True
Molecular Formula	C14H10O5
Scaffold Graph Node Bond Level	O=c1c2ccccc2oc2ccccc12
Prediction Swissadme	0.0
Inchi Key	XOXYHGOIRWABTC-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.0714285714285714
Rotatable Bond Count	1.0
State	Solid
Synonyms	1,7-Dihydroxy-3-methoxyxanthone, 1,7-Dihydroxy-3-methoxy-9H-xanthen-9-one, 1,7-Dihydroxy-3-methoxy-xanthen-9-one, 1,7-Dihydroxy-3-methoxyxanthen-9-one, Gentianic acid, Gentianin, Gentianin?, Gentisine, 1,7-dihydroxy-3-methoxyxanthone, gentianic acid, gentianin, gentisin
Esol Class	Soluble
Functional Groups	c=O, cO, cOC, coc
Compound Name	Gentisin
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	258.053
Formal Charge	0.0
Monoisotopic Mass	258.053
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	258.23
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	-4.011882957894737
Inchi	InChI=1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3
Smiles	COC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O
Np Classifier Biosynthetic Pathway	Polyketides, Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Xanthones
Np Classifier Superclass	Xanthones

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72. Outgoing r'ship FOUND_IN to/from Clinopodium Vulgare (Plant) Rel Props:Reference:
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82. Outgoing r'ship FOUND_IN to/from Foeniculum Capillaceum (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all
84. Outgoing r'ship FOUND_IN to/from Gentiana Algida (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Gentiana Aquatica (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Gentiana Argentea (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Gentiana Arisanensis (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Gentiana Bavarica (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Gentiana Bellidifolia (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Gentiana Brachyphylla (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Gentiana Campestris (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Gentiana Carinata (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Gentiana Chirayita (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Gentiana Chirayta (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Gentiana Coronata (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Gentiana Crassicaulis (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Gentiana Dahurica (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Gentiana Depressa (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Gentiana Elwesii (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Gentiana Germanica (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Gentiana Humilis (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Gentiana Japonica (Plant) Rel Props:Reference:
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105. Outgoing r'ship FOUND_IN to/from Gentiana Kurroo (Plant) Rel Props:Reference:ISBN:9788183602525
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107. Outgoing r'ship FOUND_IN to/from Gentiana Lutea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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210. Outgoing r'ship FOUND_IN to/from Polygala Senega (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Polygala Sibirica (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Polygala Telephioides (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
214. Outgoing r'ship FOUND_IN to/from Polygala Vulgaris (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Polypodium Vulgare (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Pseudofumaria Lutea (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Pterocarpus Dalbergioides (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Pterocarpus Erinaceus (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Pterocarpus Grandiflorus (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Pterocarpus Indicus (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Pterocarpus Macrocarpus (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Pterocarpus Marsupium (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Pterocarpus Officinalis (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Pterocarpus Santalinus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
225. Outgoing r'ship FOUND_IN to/from Raphanus Caudatus (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Raphanus Raphanistrum (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Raphanus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
228. Outgoing r'ship FOUND_IN to/from Schizonepeta Tenuifolia (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Scirpus Tuberosus (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Securidaca Inappendiculata (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Securigera Securidaca (Plant) Rel Props:Reference:
232. Outgoing r'ship FOUND_IN to/from Senegalia Tenuifolia (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Senna Occidentalis (Plant) Rel Props:Reference:ISBN:9788172363178
234. Outgoing r'ship FOUND_IN to/from Sorghum Vulgare (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Striga Lutea (Plant) Rel Props:Reference:
236. Outgoing r'ship FOUND_IN to/from Swertia Alata (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Swertia Angustifolia (Plant) Rel Props:Reference:
238. Outgoing r'ship FOUND_IN to/from Swertia Bimaculata (Plant) Rel Props:Reference:
239. Outgoing r'ship FOUND_IN to/from Swertia Calycina (Plant) Rel Props:Reference:
240. Outgoing r'ship FOUND_IN to/from Swertia Chinensis (Plant) Rel Props:Reference:
241. Outgoing r'ship FOUND_IN to/from Swertia Chirata (Plant) Rel Props:Reference:
242. Outgoing r'ship FOUND_IN to/from Swertia Chirayita (Plant) Rel Props:Reference:
243. Outgoing r'ship FOUND_IN to/from Swertia Ciliata (Plant) Rel Props:Reference:
244. Outgoing r'ship FOUND_IN to/from Swertia Cincta (Plant) Rel Props:Reference:
245. Outgoing r'ship FOUND_IN to/from Swertia Cordata (Plant) Rel Props:Reference:
246. Outgoing r'ship FOUND_IN to/from Swertia Corymbosa (Plant) Rel Props:Reference:
247. Outgoing r'ship FOUND_IN to/from Swertia Decora (Plant) Rel Props:Reference:
248. Outgoing r'ship FOUND_IN to/from Swertia Decussata (Plant) Rel Props:Reference:
249. Outgoing r'ship FOUND_IN to/from Swertia Delavayi (Plant) Rel Props:Reference:
250. Outgoing r'ship FOUND_IN to/from Swertia Densiflora (Plant) Rel Props:Reference:
251. Outgoing r'ship FOUND_IN to/from Swertia Dilatata (Plant) Rel Props:Reference:
252. Outgoing r'ship FOUND_IN to/from Swertia Erythrosticta (Plant) Rel Props:Reference:
253. Outgoing r'ship FOUND_IN to/from Swertia Fasciculata (Plant) Rel Props:Reference:
254. Outgoing r'ship FOUND_IN to/from Swertia Franchetiana (Plant) Rel Props:Reference:
255. Outgoing r'ship FOUND_IN to/from Swertia Hickinii (Plant) Rel Props:Reference:
256. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
257. Outgoing r'ship FOUND_IN to/from Swertia Kouitchensis (Plant) Rel Props:Reference:
258. Outgoing r'ship FOUND_IN to/from Swertia Lawii (Plant) Rel Props:Reference:
259. Outgoing r'ship FOUND_IN to/from Swertia Leduci (Plant) Rel Props:Reference:
260. Outgoing r'ship FOUND_IN to/from Swertia Leducii (Plant) Rel Props:Reference:
261. Outgoing r'ship FOUND_IN to/from Swertia Lloydioides (Plant) Rel Props:Reference:
262. Outgoing r'ship FOUND_IN to/from Swertia Macrosperma (Plant) Rel Props:Reference:
263. Outgoing r'ship FOUND_IN to/from Swertia Minor (Plant) Rel Props:Reference:
264. Outgoing r'ship FOUND_IN to/from Swertia Mussotii (Plant) Rel Props:Reference:
265. Outgoing r'ship FOUND_IN to/from Swertia Nervosa (Plant) Rel Props:Reference:
266. Outgoing r'ship FOUND_IN to/from Swertia Paniculata (Plant) Rel Props:Reference:
267. Outgoing r'ship FOUND_IN to/from Swertia Patens (Plant) Rel Props:Reference:
268. Outgoing r'ship FOUND_IN to/from Swertia Perennis (Plant) Rel Props:Reference:
269. Outgoing r'ship FOUND_IN to/from Swertia Petiolata (Plant) Rel Props:Reference:ISBN:9788185042145
270. Outgoing r'ship FOUND_IN to/from Swertia Pseudochinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
271. Outgoing r'ship FOUND_IN to/from Swertia Pubescens (Plant) Rel Props:Reference:
272. Outgoing r'ship FOUND_IN to/from Swertia Pulchella (Plant) Rel Props:Reference:
273. Outgoing r'ship FOUND_IN to/from Swertia Punctata (Plant) Rel Props:Reference:
274. Outgoing r'ship FOUND_IN to/from Swertia Punicea (Plant) Rel Props:Reference:
275. Outgoing r'ship FOUND_IN to/from Swertia Purpurascens (Plant) Rel Props:Reference:
276. Outgoing r'ship FOUND_IN to/from Swertia Randainensis (Plant) Rel Props:Reference:
277. Outgoing r'ship FOUND_IN to/from Swertia Spaciosa (Plant) Rel Props:Reference:
278. Outgoing r'ship FOUND_IN to/from Swertia Swertiopsis (Plant) Rel Props:Reference:
279. Outgoing r'ship FOUND_IN to/from Swertia Swertopsis (Plant) Rel Props:Reference:
280. Outgoing r'ship FOUND_IN to/from Swertia Thomsonii (Plant) Rel Props:Reference:
281. Outgoing r'ship FOUND_IN to/from Swertia Tosaensis (Plant) Rel Props:Reference:
282. Outgoing r'ship FOUND_IN to/from Tagetes Tenuifolia (Plant) Rel Props:Reference:
283. Outgoing r'ship FOUND_IN to/from Tanacetum Vulgare (Plant) Rel Props:Reference:
284. Outgoing r'ship FOUND_IN to/from Tripolium Vulgare (Plant) Rel Props:Reference:
285. Outgoing r'ship FOUND_IN to/from Triticum Vulgare (Plant) Rel Props:Reference:
286. Outgoing r'ship FOUND_IN to/from Vinca Major (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 286

Plant Connections 286