Furfuryl propionate

Details

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Internal ID b86743db-ab1d-4eaa-82f1-a64ceea6f28b
Taxonomy Organoheterocyclic compounds > Heteroaromatic compounds
IUPAC Name furan-2-ylmethyl propanoate
SMILES (Canonical) CCC(=O)OCC1=CC=CO1
SMILES (Isomeric) CCC(=O)OCC1=CC=CO1
InChI InChI=1S/C8H10O3/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3
InChI Key LGBXNZSSTFWRFS-UHFFFAOYSA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C8H10O3
Molecular Weight 154.16 g/mol
Exact Mass 154.062994177 g/mol
Topological Polar Surface Area (TPSA) 39.40 Ų
XlogP 1.20

Synonyms

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623-19-8
furan-2-ylmethyl propanoate
Furfuryl propanoate
Furfuryl alcohol, propionate
2-FURANMETHANOL, PROPANOATE
2-Furanmethyl propionate
2-Furanmethyl propanoate
2-Furanylmethyl propanoate
2-Furanmethanol, 2-propanoate
FEMA No. 3346
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Furfuryl propionate

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.02% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.45% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.61% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.38% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.69% 95.56%
CHEMBL2581 P07339 Cathepsin D 85.30% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 85.20% 94.73%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 83.28% 93.65%

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.
Glycyrrhiza glabra

Cross-Links

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PubChem 61166
LOTUS LTS0162329
wikiData Q27277422