5-Hydroxy-7-pentoxy-6-pentyl-2-phenylchromen-4-one

Details

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Internal ID 0f80aa19-4085-4354-98b7-e0f3e1229e1c
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavones
IUPAC Name 5-hydroxy-7-pentoxy-6-pentyl-2-phenylchromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H30O4/c1-3-5-8-14-19-22(28-15-11-6-4-2)17-23-24(25(19)27)20(26)16-21(29-23)18-12-9-7-10-13-18/h7,9-10,12-13,16-17,27H,3-6,8,11,14-15H2,1-2H3
InChI Key JWNHPTJIYVBXIB-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C25H30O4
Molecular Weight 394.50 g/mol
Exact Mass 394.21440943 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 7.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-Hydroxy-7-pentoxy-6-pentyl-2-phenylchromen-4-one

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 99.05% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.46% 91.11%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 96.77% 92.08%
CHEMBL1293249 Q13887 Kruppel-like factor 5 96.61% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.42% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 94.19% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.51% 89.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 91.79% 96.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.97% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.92% 94.00%
CHEMBL1951 P21397 Monoamine oxidase A 90.34% 91.49%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 86.80% 94.62%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.69% 95.50%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.57% 99.23%
CHEMBL3891 P07384 Calpain 1 83.27% 93.04%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.94% 90.71%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 81.19% 91.71%
CHEMBL1907 P15144 Aminopeptidase N 80.98% 93.31%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.74% 93.56%

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.
Lawsonia inermis

Cross-Links

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PubChem 163084390
LOTUS LTS0069216
wikiData Q105136234