Pichiafuran B

Details

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Internal ID 6db6f052-e9a4-49e1-953b-ac0f56dd7bdd
Taxonomy Benzenoids > Phenols > Tyrosols and derivatives
IUPAC Name 4-[2-[(1S)-1-(furan-2-yl)-2-hydroxyethoxy]ethyl]phenol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H16O4/c15-10-14(13-2-1-8-17-13)18-9-7-11-3-5-12(16)6-4-11/h1-6,8,14-16H,7,9-10H2/t14-/m0/s1
InChI Key PUFLCQMPJAHYJQ-AWEZNQCLSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C14H16O4
Molecular Weight 248.27 g/mol
Exact Mass 248.10485899 g/mol
Topological Polar Surface Area (TPSA) 62.80 Ų
XlogP 1.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Pichiafuran B

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 94.93% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.67% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.70% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.60% 94.45%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 88.37% 94.62%
CHEMBL2581 P07339 Cathepsin D 88.25% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 83.65% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.39% 86.33%
CHEMBL4973 P43004 Excitatory amino acid transporter 2 81.15% 98.75%
CHEMBL2954 P25774 Cathepsin S 80.54% 95.60%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.49% 94.00%

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.
There are no matching plants.

Cross-Links

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PubChem 24879478
LOTUS LTS0221427
wikiData Q77483337