Naphthgeranine F

Details

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Internal ID f5736ba7-5db9-4045-8c1a-f1a83c2b9c20
Taxonomy Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones
IUPAC Name 8,10-dihydroxy-2,5-bis(hydroxymethyl)-5-methylnaphtho[2,3-c]isochromene-7,12-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H16O7/c1-20(8-22)13-3-2-9(7-21)4-11(13)16-17(25)12-5-10(23)6-14(24)15(12)18(26)19(16)27-20/h2-6,21-24H,7-8H2,1H3
InChI Key FVVBNLLQSDWPMI-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C20H16O7
Molecular Weight 368.30 g/mol
Exact Mass 368.08960285 g/mol
Topological Polar Surface Area (TPSA) 124.00 Ų
XlogP 1.30

Synonyms

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Naphthgeranine F
8,10-dihydroxy-2,5-bis(hydroxymethyl)-5-methylnaphtho[2,3-c]isochromene-7,12-dione

2D Structure

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2D Structure of Naphthgeranine F

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
CHEMBL2581 P07339 Cathepsin D 98.17% 98.95%
CHEMBL3492 P49721 Proteasome Macropain subunit 95.50% 90.24%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.92% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.73% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 94.21% 91.49%
CHEMBL4208 P20618 Proteasome component C5 93.01% 90.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.89% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.27% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 90.02% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.00% 94.00%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 88.71% 96.38%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.20% 94.45%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 85.63% 85.49%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 85.24% 99.15%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.08% 86.33%
CHEMBL3524 P56524 Histone deacetylase 4 83.48% 92.97%
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 82.46% 80.00%
CHEMBL1929 P47989 Xanthine dehydrogenase 82.09% 96.12%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.06% 96.95%
CHEMBL1937 Q92769 Histone deacetylase 2 80.77% 94.75%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 80.05% 93.10%

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 10474175
LOTUS LTS0123052
wikiData Q104166825