1-Methoxy-2-methyl-anthraquinone

PubChem CID: 3534338

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL41178, 1-Methoxy-2-methyl-anthraquinone, 1-Methoxy-2-methylanthraquinone, SCHEMBL3419749, BDBM50005911, AKOS024341735
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1C2CCCCC2C(C)C2CCCCC12
Np Classifier Class	Anthraquinones and anthrones
Deep Smiles	COccC)cccc6C=O)ccC6=O))cccc6
Heavy Atom Count	19.0
Classyfire Class	Anthracenes
Scaffold Graph Node Level	OC1C2CCCCC2C(O)C2CCCCC12
Classyfire Subclass	Anthraquinones
Isotope Atom Count	0.0
Molecular Complexity	389.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P08246
Iupac Name	1-methoxy-2-methylanthracene-9,10-dione
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Benzenoids
Xlogp	3.2
Gsk 4 400 Rule	True
Molecular Formula	C16H12O3
Scaffold Graph Node Bond Level	O=C1c2ccccc2C(=O)c2ccccc21
Prediction Swissadme	0.0
Inchi Key	MZFYROVNJMBHPG-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.125
Logs	-5.623
Rotatable Bond Count	1.0
Logd	3.216
Synonyms	1-methoxy-2-methyl-anthraquinone, 1-methoxy-2-methylanthraquinone
Esol Class	Soluble
Functional Groups	cC(c)=O, cOC
Compound Name	1-Methoxy-2-methyl-anthraquinone
Prediction Hob Swissadme	0.0
Exact Mass	252.079
Formal Charge	0.0
Monoisotopic Mass	252.079
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	252.26
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	-3.8214362210526316
Inchi	InChI=1S/C16H12O3/c1-9-7-8-12-13(16(9)19-2)15(18)11-6-4-3-5-10(11)14(12)17/h3-8H,1-2H3
Smiles	CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)OC
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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81. Outgoing r'ship FOUND_IN to/from Cunninghamia Konishii (Plant) Rel Props:Reference:
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85. Outgoing r'ship FOUND_IN to/from Dicoma Tomentosa (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Digitalis Lanata (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
87. Outgoing r'ship FOUND_IN to/from Digitalis Purpurea (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
88. Outgoing r'ship FOUND_IN to/from Dioscorea Tomentosa (Plant) Rel Props:Reference:
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92. Outgoing r'ship FOUND_IN to/from Euphorbia Umbellata (Plant) Rel Props:Reference:
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210. Outgoing r'ship FOUND_IN to/from Zehneria Umbellata (Plant) Rel Props:Reference:

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1-Methoxy-2-methyl-anthraquinone

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Phytochemical Properties

Associated Connections 210

Plant Connections 210