9-O-Methylanhydrofusarubin

Details

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Internal ID c5c7ee55-0f7e-4650-bff7-ed2c4d6e058b
Taxonomy Phenylpropanoids and polyketides > Isochromanequinones > Benzoisochromanequinones
IUPAC Name 6-hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromene-5,10-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H14O6/c1-7-4-8-9(6-22-7)15(18)12-10(20-2)5-11(21-3)16(19)13(12)14(8)17/h4-5,19H,6H2,1-3H3
InChI Key ZVUVNTFYEKLLAF-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H14O6
Molecular Weight 302.28 g/mol
Exact Mass 302.07903816 g/mol
Topological Polar Surface Area (TPSA) 82.10 Ų
XlogP 2.00

Synonyms

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9-O-Methylanhydrofusarubin
9-O-Methyl-anhydrofusarubin
UNII-DMC4X8X3QA
6-Hydroxy-7,9-dimethoxy-3-methyl-1H-benzo(g)isochromene-5,10-dione
1H-Naphtho(2,3-C)pyran-5,10-dione, 6-hydroxy-7,9-dimethoxy-3-methyl-
96888-55-0
6-hydroxy-7,9-dimethoxy-3-methyl-1H-benzo[g]isochromene-5,10-dione
RefChem:108054

2D Structure

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2D Structure of 9-O-Methylanhydrofusarubin

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
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.70% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.26% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.90% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.18% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.68% 94.00%
CHEMBL2581 P07339 Cathepsin D 89.39% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.36% 89.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.58% 85.14%
CHEMBL2002 P12268 Inosine-5'-monophosphate dehydrogenase 2 85.71% 98.21%
CHEMBL4208 P20618 Proteasome component C5 84.89% 90.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.10% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.81% 99.23%
CHEMBL1871 P10275 Androgen Receptor 81.76% 96.43%
CHEMBL3401 O75469 Pregnane X receptor 81.28% 94.73%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 80.02% 93.40%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 86125832
LOTUS LTS0128566
wikiData Q105384674