5-Hydroxy-3,7,8,2'-tetramethoxyflavone

PubChem CID: 14887327

Connections displayed (default: 10).

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Compound Synonyms	5-Hydroxy-3,7,8,2'-tetramethoxyflavone, 5-hydroxy-3,7,8-trimethoxy-2-(2-methoxyphenyl)chromen-4-one, SCHEMBL6070136, CHEBI:185311, LMPK12113069, 86828-02-6
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	83.5
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC(C2CCCCC2)CC2CCCCC12
Np Classifier Class	Flavonols
Deep Smiles	COcccccc6coccOC))cOC))ccc6c=O)c%10OC)))))O
Heavy Atom Count	26.0
Classyfire Class	Flavonoids
Scaffold Graph Node Level	OC1CC(C2CCCCC2)OC2CCCCC12
Classyfire Subclass	O-methylated flavonoids
Isotope Atom Count	0.0
Molecular Complexity	546.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	5-hydroxy-3,7,8-trimethoxy-2-(2-methoxyphenyl)chromen-4-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	3.5
Gsk 4 400 Rule	True
Molecular Formula	C19H18O7
Scaffold Graph Node Bond Level	O=c1cc(-c2ccccc2)oc2ccccc12
Prediction Swissadme	0.0
Inchi Key	NDPLDNPWMUMQNB-UHFFFAOYSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.2105263157894736
Rotatable Bond Count	5.0
Synonyms	5-hydroxy-3,7,8,2'-tetramethoxyflavone
Esol Class	Moderately soluble
Functional Groups	c=O, cO, cOC, coc
Compound Name	5-Hydroxy-3,7,8,2'-tetramethoxyflavone
Prediction Hob Swissadme	0.0
Exact Mass	358.105
Formal Charge	0.0
Monoisotopic Mass	358.105
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	358.3
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	-4.007829815384616
Inchi	InChI=1S/C19H18O7/c1-22-12-8-6-5-7-10(12)16-19(25-4)15(21)14-11(20)9-13(23-2)17(24-3)18(14)26-16/h5-9,20H,1-4H3
Smiles	COC1=CC=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Flavonoids

1. Outgoing r'ship FOUND_IN to/from Acer Acuminatum (Plant) Rel Props:Reference:
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75. Outgoing r'ship FOUND_IN to/from Corydalis Taliensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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77. Outgoing r'ship FOUND_IN to/from Corydalis Ternata (Plant) Rel Props:Reference:
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83. Outgoing r'ship FOUND_IN to/from Corydalis Vaginans (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Corydalis Yanhusuo (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Croton Discolor (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Cyperus Scariosus (Plant) Rel Props:Reference:
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88. Outgoing r'ship FOUND_IN to/from Diospyros Discolor (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Duboisia Myoporoides (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Eriocephalus Kingesii (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Genista Sessilifolia (Plant) Rel Props:Reference:
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140. Outgoing r'ship FOUND_IN to/from Scutellaria Barbata (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Scutellaria Discolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
142. Outgoing r'ship FOUND_IN to/from Scutellaria Epilobifolia (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Scutellaria Galericulata (Plant) Rel Props:Reference:
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145. Outgoing r'ship FOUND_IN to/from Scutellaria Hypericifolia (Plant) Rel Props:Reference:
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147. Outgoing r'ship FOUND_IN to/from Scutellaria Lateriflora (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Scutellaria Likiangensis (Plant) Rel Props:Reference:
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150. Outgoing r'ship FOUND_IN to/from Scutellaria Prostata (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Scutellaria Przewalskii (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Scutellaria Rehderiana (Plant) Rel Props:Reference:
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158. Outgoing r'ship FOUND_IN to/from Sphenoclea Zeylanica (Plant) Rel Props:Reference:
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165. Outgoing r'ship FOUND_IN to/from Xylopia Brasiliensis (Plant) Rel Props:Reference:
166. Outgoing r'ship FOUND_IN to/from Xylopia Columbiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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170. Outgoing r'ship FOUND_IN to/from Xylopia Parvifolia (Plant) Rel Props:Reference:

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5-Hydroxy-3,7,8,2'-tetramethoxyflavone

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Phytochemical Properties

Associated Connections 170

Plant Connections 170