Nigrolineabiphenyl A

Details

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Internal ID 5bcb099f-4699-4250-ac3f-b93987b1c810
Taxonomy Benzenoids > Benzene and substituted derivatives > Biphenols
IUPAC Name 4-(4-hydroxy-3,5-dimethoxyphenyl)benzene-1,2-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H14O5/c1-18-12-6-9(7-13(19-2)14(12)17)8-3-4-10(15)11(16)5-8/h3-7,15-17H,1-2H3
InChI Key ZZOCAYOGNJRKQA-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C14H14O5
Molecular Weight 262.26 g/mol
Exact Mass 262.08412354 g/mol
Topological Polar Surface Area (TPSA) 79.20 Ų
XlogP 2.40

Synonyms

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4-(4-Hydroxy-3,5-dimethoxyphenyl)benzene-1,2-diol

2D Structure

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2D Structure of Nigrolineabiphenyl A

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 95.86% 91.11%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 95.22% 98.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.99% 96.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 92.69% 99.15%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.98% 86.33%
CHEMBL2581 P07339 Cathepsin D 88.10% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.89% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.04% 94.00%
CHEMBL4355 O14976 Serine/threonine-protein kinase GAK 85.12% 89.32%
CHEMBL3438 Q05513 Protein kinase C zeta 84.08% 88.48%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.90% 92.94%
CHEMBL1907 P15144 Aminopeptidase N 83.05% 93.31%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 82.56% 92.68%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.84% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.90% 99.17%
CHEMBL3194 P02766 Transthyretin 80.76% 90.71%
CHEMBL4208 P20618 Proteasome component C5 80.73% 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.
Garcinia nigrolineata

Cross-Links

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PubChem 11572481
LOTUS LTS0170927
wikiData Q105386948