2-(Methoxymethyl)-1,3-dihydroxyanthraquinone

PubChem CID: 149782

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Compound Synonyms	79560-36-4, 2-(Methoxymethyl)-1,3-dihydroxyanthraquinone, Lucidin omega-methyl ether, 1,3-Dihydroxy-2-methoxymethylanthraquinone, 1,3-dihydroxy-2-(methoxymethyl)anthracene-9,10-dione, CCRIS 6438, Lucidin-, O-Me ether, CHEBI:6555, Lucidin-.omega.-methyl ether, CHEMBL485454, 9,10-Anthracenedione,1,3-dihydroxy-2-(methoxymethyl)-, SCHEMBL16227056, DTXSID30229767, HY-N12071, AG-H-19144, DA-69390, 1,3-Dihydroxy-2-methoxymethyl-anthraquinone, CS-0891279, 1,3-Dihydroxy-2-methoxymethyl-9,10-anthraquinone, Q27107239
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	CC1C2CCCCC2C(C)C2CCCCC12
Np Classifier Class	Anthraquinones and anthrones
Deep Smiles	COCccO)cccc6O))C=O)ccC6=O))cccc6
Heavy Atom Count	21.0
Classyfire Class	Anthracenes
Scaffold Graph Node Level	OC1C2CCCCC2C(O)C2CCCCC12
Classyfire Subclass	Anthraquinones
Isotope Atom Count	0.0
Molecular Complexity	434.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	1,3-dihydroxy-2-(methoxymethyl)anthracene-9,10-dione
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Benzenoids
Xlogp	2.4
Gsk 4 400 Rule	True
Molecular Formula	C16H12O5
Scaffold Graph Node Bond Level	O=C1c2ccccc2C(=O)c2ccccc21
Prediction Swissadme	0.0
Inchi Key	OBAYLECORSQIQW-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.125
Logs	-3.395
Rotatable Bond Count	2.0
Logd	1.803
Synonyms	1,3-dihydroxy-2-methoxy-methyl anthraquinone, 1,3-dihydroxy-2-methoxymethylanthraquinone
Esol Class	Soluble
Functional Groups	COC, cC(c)=O, cO
Compound Name	2-(Methoxymethyl)-1,3-dihydroxyanthraquinone
Prediction Hob Swissadme	0.0
Exact Mass	284.068
Formal Charge	0.0
Monoisotopic Mass	284.068
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	284.26
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	-3.380112542857142
Inchi	InChI=1S/C16H12O5/c1-21-7-11-12(17)6-10-13(16(11)20)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,17,20H,7H2,1H3
Smiles	COCC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O
Nring	3.0
Np Classifier Biosynthetic Pathway	Polyketides
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Polycyclic aromatic polyketides

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80. Outgoing r'ship FOUND_IN to/from Euphorbia Nivulia (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Euphorbia Officinarum (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Euphorbia Onicrophylla (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Euphorbia Orbiculata (Plant) Rel Props:Reference:
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85. Outgoing r'ship FOUND_IN to/from Euphorbia Palustris (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Euphorbia Pannonica (Plant) Rel Props:Reference:
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88. Outgoing r'ship FOUND_IN to/from Euphorbia Pekinensis (Plant) Rel Props:Reference:
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93. Outgoing r'ship FOUND_IN to/from Euphorbia Poisonii (Plant) Rel Props:Reference:
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213. Outgoing r'ship FOUND_IN to/from Solanum Pseudopersicum (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Solanum Pseudoquina (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Solanum Pubescens (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Solanum Racemigerum (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Solanum Sarmentosum (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Solanum Sarrachoides (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Solanum Seaforthianum (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Solanum Sisymbriifolium (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Solanum Sodomeum (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Solanum Spirale (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Solanum Stramoniifolium (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Solanum Sublobatum (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Solanum Surattense (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Solanum Torvum (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Solanum Toxicarium (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Solanum Toxicarum (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Solanum Transcaucasicum (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Solanum Trilobatum (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Solanum Tripartitum (Plant) Rel Props:Reference:
232. Outgoing r'ship FOUND_IN to/from Solanum Tuberosum (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Solanum Verbascifolium (Plant) Rel Props:Reference:
234. Outgoing r'ship FOUND_IN to/from Solanum Viarum (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Solanum Villosum (Plant) Rel Props:Reference:
236. Outgoing r'ship FOUND_IN to/from Solanum Violaceum (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Solanum Virginianum (Plant) Rel Props:Reference:
238. Outgoing r'ship FOUND_IN to/from Solanum Wrightii (Plant) Rel Props:Reference:
239. Outgoing r'ship FOUND_IN to/from Solanum Xanthocarpum (Plant) Rel Props:Reference:
240. Outgoing r'ship FOUND_IN to/from Stachys Aegyptiaca (Plant) Rel Props:Reference:
241. Outgoing r'ship FOUND_IN to/from Stachys Affinis (Plant) Rel Props:Reference:
242. Outgoing r'ship FOUND_IN to/from Stachys Byzantina (Plant) Rel Props:Reference:
243. Outgoing r'ship FOUND_IN to/from Stachys Chinensis (Plant) Rel Props:Reference:
244. Outgoing r'ship FOUND_IN to/from Stachys Lavandulifolia (Plant) Rel Props:Reference:
245. Outgoing r'ship FOUND_IN to/from Stachys Mucronata (Plant) Rel Props:Reference:
246. Outgoing r'ship FOUND_IN to/from Stachys Palustris (Plant) Rel Props:Reference:
247. Outgoing r'ship FOUND_IN to/from Stachys Plumosa (Plant) Rel Props:Reference:
248. Outgoing r'ship FOUND_IN to/from Stachys Sylvatica (Plant) Rel Props:Reference:
249. Outgoing r'ship FOUND_IN to/from Stachys Tibetica (Plant) Rel Props:Reference:
250. Outgoing r'ship FOUND_IN to/from Stachys Tuberifera (Plant) Rel Props:Reference:
251. Outgoing r'ship FOUND_IN to/from Strychnos Wallichiana (Plant) Rel Props:Reference:
252. Outgoing r'ship FOUND_IN to/from Taxus Wallichiana (Plant) Rel Props:Reference:
253. Outgoing r'ship FOUND_IN to/from Trichosanthes Wallichiana (Plant) Rel Props:Reference:
254. Outgoing r'ship FOUND_IN to/from Turraea Parvifolia (Plant) Rel Props:Reference:
255. Outgoing r'ship FOUND_IN to/from Ulmus Parvifolia (Plant) Rel Props:Reference:
256. Outgoing r'ship FOUND_IN to/from Ulmus Wallichiana (Plant) Rel Props:Reference:
257. Outgoing r'ship FOUND_IN to/from Xylopia Parvifolia (Plant) Rel Props:Reference:

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Grayu

2-(Methoxymethyl)-1,3-dihydroxyanthraquinone

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Phytochemical Properties

Associated Connections 257

Plant Connections 257