7-Methyljuglone

PubChem CID: 26905

Connections displayed (default: 10).

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Compound Synonyms	7-Methyljuglone, Ramentaceone, 14787-38-3, 5-hydroxy-7-methylnaphthalene-1,4-dione, 7-Methyljuglon, JUGLONE, 7-METHYL-, 5-Hydroxy-7-methyl-1,4-naphthoquinone, 5-Hydroxy-7-methyl-1,4-naphthalenedione, 1,4-Naphthalenedione, 5-hydroxy-7-methyl-, 7-METHYL-JUGLONE, NSC208733, ZS3RW9P6DY, 1,4-NAPHTHOQUINONE, 5-HYDROXY-7-METHYL-, CHEBI:8773, CHEMBL430853, 4-08-00-02374 (Beilstein Handbook Reference), NSC624625, NSC-208733, NSC-624625, 5-hydroxy-7-methyl-naphthalene-1,4-dione, NSC 208733, NSC 624625, BRN 2047829, 5-Hydroxy-7-methyl-2,3-dihydronaphthal-ene-1,4-dione, 7-Methyl juglon, UNII-ZS3RW9P6DY, 1, 5-hydroxy-7-methyl-, SCHEMBL5904880, DTXSID80163824, BDBM50107009, AKOS006278204, 5-Hydroxy-7-methyl-[1,4]naphthoquinone, 5-Hydroxy-7-methyll-,1,4-naphtoquinone, NCI60_001745, NCI60_007460, DB-063738, HY-121684, CS-0083051, H27850, Q27108145
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCC(C)C2CCCCC12
Np Classifier Class	Naphthoquinones
Deep Smiles	CcccO)ccc6)C=O)C=CC6=O
Heavy Atom Count	14.0
Classyfire Class	Naphthalenes
Scaffold Graph Node Level	OC1CCC(O)C2CCCCC12
Classyfire Subclass	Naphthoquinones
Isotope Atom Count	0.0
Molecular Complexity	306.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	Q4U254, n.a., P11309, P9WG47
Iupac Name	5-hydroxy-7-methylnaphthalene-1,4-dione
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Benzenoids
Target Id	NPT1265
Xlogp	2.3
Gsk 4 400 Rule	True
Molecular Formula	C11H8O3
Scaffold Graph Node Bond Level	O=C1C=CC(=O)c2ccccc21
Prediction Swissadme	0.0
Inchi Key	OZUSCVSONBBWOR-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.0909090909090909
Logs	-3.339
Rotatable Bond Count	0.0
Logd	2.004
Synonyms	7-methyljuglone, juglone, 7-methyl
Esol Class	Soluble
Functional Groups	O=C1C=CC(=O)cc1, cO
Compound Name	7-Methyljuglone
Prediction Hob Swissadme	0.0
Exact Mass	188.047
Formal Charge	0.0
Monoisotopic Mass	188.047
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	188.18
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	-2.760271257142857
Inchi	InChI=1S/C11H8O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h2-5,14H,1H3
Smiles	CC1=CC2=C(C(=O)C=CC2=O)C(=C1)O
Nring	2.0
Np Classifier Biosynthetic Pathway	Polyketides
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Naphthalenes

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94. Outgoing r'ship FOUND_IN to/from Suaeda Maritima (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Triglochin Maritima (Plant) Rel Props:Reference:

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7-Methyljuglone

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Phytochemical Properties

Associated Connections 95

Plant Connections 95