Methylnaphthazarin

Details

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Internal ID eb8c3371-a63e-4aa8-908a-257978ac88f2
Taxonomy Benzenoids > Naphthalenes > Naphthoquinones
IUPAC Name 5,8-dihydroxy-2-methylnaphthalene-1,4-dione
SMILES (Canonical) CC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O
SMILES (Isomeric) CC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O
InChI InChI=1S/C11H8O4/c1-5-4-8(14)9-6(12)2-3-7(13)10(9)11(5)15/h2-4,12-13H,1H3
InChI Key YKPXIWHBRBFRQM-UHFFFAOYSA-N
Popularity 30 references in papers

Physical and Chemical Properties

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Molecular Formula C11H8O4
Molecular Weight 204.18 g/mol
Exact Mass 204.04225873 g/mol
Topological Polar Surface Area (TPSA) 74.60 Ų
XlogP 2.20

Synonyms

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2-Methylnaphthazarin
14554-09-7
Ramentone
5,8-dihydroxy-2-methylnaphthalene-1,4-dione
MLS001048870
5,8-Dihydroxy-2-methyl-1,4-naphthoquinone
SMR000387073
NSC208732
1, 5,8-dihydroxy-2-methyl-
1,4-Naphthoquinone, 5,8-dihydroxy-2-methyl-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Methylnaphthazarin

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
CHEMBL1287622 Q9Y468 Lethal(3)malignant brain tumor-like protein 1 794.3 nM
Potency
via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.66% 95.56%
CHEMBL2581 P07339 Cathepsin D 91.43% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.29% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 86.14% 94.73%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 85.09% 99.15%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.82% 99.23%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 81.67% 96.67%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.66% 89.00%
CHEMBL4208 P20618 Proteasome component C5 80.19% 90.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Diospyros batocana
Diospyros chamaethamnus
Diospyros chloroxylon
Diospyros heterotricha
Drosera intermedia
Nepenthes thorelii
Plumbago zeylanica

Cross-Links

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PubChem 271296
LOTUS LTS0077880
wikiData Q82038228