(R)-alternariphent A

Details

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Internal ID c9789ce0-4488-4f7e-a07f-e2cd69b3493c
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name (5R)-5-hydroxy-2-(3-hydroxy-5-methoxyphenyl)-3-methylcyclopent-2-en-1-one
SMILES (Canonical) CC1=C(C(=O)C(C1)O)C2=CC(=CC(=C2)OC)O
SMILES (Isomeric) CC1=C(C(=O)[C@@H](C1)O)C2=CC(=CC(=C2)OC)O
InChI InChI=1S/C13H14O4/c1-7-3-11(15)13(16)12(7)8-4-9(14)6-10(5-8)17-2/h4-6,11,14-15H,3H2,1-2H3/t11-/m1/s1
InChI Key CWLFWIXNLVDJJO-LLVKDONJSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C13H14O4
Molecular Weight 234.25 g/mol
Exact Mass 234.08920892 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 1.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (R)-alternariphent 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
CHEMBL2581 P07339 Cathepsin D 95.89% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.59% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.99% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.74% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.42% 96.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.25% 99.15%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.42% 94.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.67% 90.71%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 85.78% 95.89%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.00% 86.33%
CHEMBL2535 P11166 Glucose transporter 83.66% 98.75%
CHEMBL1929 P47989 Xanthine dehydrogenase 82.75% 96.12%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 82.54% 92.68%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.29% 95.89%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 81.25% 93.40%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.17% 97.14%
CHEMBL4208 P20618 Proteasome component C5 80.97% 90.00%

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 139590696
LOTUS LTS0192286
wikiData Q104971340