Isocryptomerin

PubChem CID: 5318537

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Compound Synonyms	Isocryptomerin, 20931-58-2, lsocryptomerin, 6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one, CHEMBL3589108, Isocyptomerin, 6-(4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one, 6-[4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one, SCHEMBL13485651, GLXC-19230, BDBM50522702, HY-N11506, DA-74550, FS-10639, CS-0648281, 6-[4-(5,7-dihydroxy-4-oxo-chromen-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	152.0
Hydrogen Bond Donor Count	4.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC(C2CCC(CC3CCC4CC(C5CCCCC5)CC(C)C4C3)CC2)CC2CCCCC12
Np Classifier Class	Flavones
Deep Smiles	COcccoccc=O)c6cc%10Occcccc6))ccc=O)cco6)cccc6O)))O))))))))))))))O)))))cccccc6))O
Heavy Atom Count	41.0
Classyfire Class	Flavonoids
Scaffold Graph Node Level	OC1CC(C2CCC(OC3CCC4OC(C5CCCCC5)CC(O)C4C3)CC2)OC2CCCCC12
Classyfire Subclass	O-methylated flavonoids
Isotope Atom Count	0.0
Molecular Complexity	1040.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	n.a., P05067
Iupac Name	6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Prediction Hob	0.0
Veber Rule	False
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	5.6
Gsk 4 400 Rule	False
Molecular Formula	C31H20O10
Scaffold Graph Node Bond Level	O=c1cc(-c2ccc(Oc3ccc4oc(-c5ccccc5)cc(=O)c4c3)cc2)oc2ccccc12
Prediction Swissadme	0.0
Inchi Key	PTKBMDRXKOIHCA-UHFFFAOYSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.032258064516129
Logs	-4.363
Rotatable Bond Count	5.0
Logd	2.443
Synonyms	isocryptomerin
Esol Class	Poorly soluble
Functional Groups	c=O, cO, cOC, cOc, coc
Compound Name	Isocryptomerin
Prediction Hob Swissadme	0.0
Exact Mass	552.106
Formal Charge	0.0
Monoisotopic Mass	552.106
Hydrogen Bond Acceptor Count	10.0
Molecular Weight	552.5
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	False
Esol	-6.058205175609758
Inchi	InChI=1S/C31H20O10/c1-38-27-14-26-29(22(36)13-24(41-26)15-2-6-17(32)7-3-15)30(37)31(27)39-19-8-4-16(5-9-19)23-12-21(35)28-20(34)10-18(33)11-25(28)40-23/h2-14,32-34,37H,1H3
Smiles	COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O
Nring	6.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Np Classifier Superclass	Flavonoids

1. Outgoing r'ship FOUND_IN to/from Actaea Simplex (Plant) Rel Props:Reference:
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31. Outgoing r'ship FOUND_IN to/from Cunninghamia Lanceolata (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042138
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53. Outgoing r'ship FOUND_IN to/from Fumaria Officinalis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Fumaria Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
55. Outgoing r'ship FOUND_IN to/from Fumaria Schleicheri (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Fumaria Vaillantii (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Galinsoga Parviflora (Plant) Rel Props:Reference:
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59. Outgoing r'ship FOUND_IN to/from Geijera Parviflora (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Ginsoga Parviflora (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Glycosmis Parviflora (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Gomophostemma Parviflora (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Gomphostemma Parviflora (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Gordonia Obtusa (Plant) Rel Props:Reference:
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67. Outgoing r'ship FOUND_IN to/from Hopea Parviflora (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Hymenoxys Grandiflora (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Hypericum Reptans (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Ipomoea Grandiflora (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Ipomoea Reptans (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Iryanthera Paraensis (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Juniperus Communis (Plant) Rel Props:Reference:ISBN:9788171360536
74. Outgoing r'ship FOUND_IN to/from Juniperus Indica (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042138
75. Outgoing r'ship FOUND_IN to/from Juniperus Polycarpos (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042084
76. Outgoing r'ship FOUND_IN to/from Juniperus Procera (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172362461
77. Outgoing r'ship FOUND_IN to/from Juniperus Pseudosabina (Plant) Rel Props:Reference:ISBN:9788185042138
78. Outgoing r'ship FOUND_IN to/from Juniperus Virginiana (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172362461
79. Outgoing r'ship FOUND_IN to/from Justicia Simplex (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Kleinia Grandiflora (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Lablab Purpureus (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Lagerstroemia Parviflora (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Lagerstromia Parviflora (Plant) Rel Props:Reference:
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85. Outgoing r'ship FOUND_IN to/from Magnolia Grandiflora (Plant) Rel Props:Reference:
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87. Outgoing r'ship FOUND_IN to/from Meniscium Simplex (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Mentha Grandiflora (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Metasequoia Glyptostroboides (Plant) Rel Props:Reference:ISBN:9788185042084
90. Outgoing r'ship FOUND_IN to/from Mussaenda Parviflora (Plant) Rel Props:Reference:
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92. Outgoing r'ship FOUND_IN to/from Peltogyne Porphyrocardia (Plant) Rel Props:Reference:
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192. Outgoing r'ship FOUND_IN to/from Solanum Mauritianum (Plant) Rel Props:Reference:
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194. Outgoing r'ship FOUND_IN to/from Solanum Myriacanthum (Plant) Rel Props:Reference:
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197. Outgoing r'ship FOUND_IN to/from Solanum Platanifolium (Plant) Rel Props:Reference:
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199. Outgoing r'ship FOUND_IN to/from Solanum Pseudopersicum (Plant) Rel Props:Reference:
200. Outgoing r'ship FOUND_IN to/from Solanum Pseudoquina (Plant) Rel Props:Reference:
201. Outgoing r'ship FOUND_IN to/from Solanum Pubescens (Plant) Rel Props:Reference:
202. Outgoing r'ship FOUND_IN to/from Solanum Racemigerum (Plant) Rel Props:Reference:
203. Outgoing r'ship FOUND_IN to/from Solanum Sarmentosum (Plant) Rel Props:Reference:
204. Outgoing r'ship FOUND_IN to/from Solanum Sarrachoides (Plant) Rel Props:Reference:
205. Outgoing r'ship FOUND_IN to/from Solanum Seaforthianum (Plant) Rel Props:Reference:
206. Outgoing r'ship FOUND_IN to/from Solanum Sisymbrifolium (Plant) Rel Props:Reference:
207. Outgoing r'ship FOUND_IN to/from Solanum Sisymbriifolium (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Solanum Sodomaeum (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Solanum Sodomeum (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Solanum Spirale (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Solanum Stramoniifolium (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Solanum Sublobatum (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Solanum Surattense (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Solanum Torvum (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Solanum Toxicarium (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Solanum Toxicarum (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Solanum Transcaucasicum (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Solanum Trilobatum (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Solanum Tripartitum (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Solanum Tuberosum (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Solanum Verbascifolium (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Solanum Viarum (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Solanum Villosum (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Solanum Violaceum (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Solanum Virginianum (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Solanum Virginiatum (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Solanum Wrightii (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Solanum Xanthocarpum (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Stemona Parviflora (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Sterculia Parviflora (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Taxodium Huegelii (Plant) Rel Props:Reference:ISBN:9788185042084
232. Outgoing r'ship FOUND_IN to/from Tecoma Grandiflora (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Tetraena Simplex (Plant) Rel Props:Reference:
234. Outgoing r'ship FOUND_IN to/from Thalictrum Simplex (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Thunbergia Grandiflora (Plant) Rel Props:Reference:
236. Outgoing r'ship FOUND_IN to/from Trigonella Grandiflora (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Urtica Parviflora (Plant) Rel Props:Reference:
238. Outgoing r'ship FOUND_IN to/from Uvaria Grandiflora (Plant) Rel Props:Reference:
239. Outgoing r'ship FOUND_IN to/from Vinca Parviflora (Plant) Rel Props:Reference:
240. Outgoing r'ship FOUND_IN to/from Xylopia Parviflora (Plant) Rel Props:Reference:
241. Outgoing r'ship FOUND_IN to/from Zephyranthes Grandiflora (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 241

Plant Connections 241