2-hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one

Details

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Internal ID 5d79d685-0b69-4c42-8878-91d4713f5c89
Taxonomy Benzenoids > Naphthalenes > Phenylnaphthalenes
IUPAC Name 2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one
SMILES (Canonical) COC1=CC=C(C=C1)C2=C3C=C(C(=O)C4=CC=CC(=C43)C=C2)O
SMILES (Isomeric) COC1=CC=C(C=C1)C2=C3C=C(C(=O)C4=CC=CC(=C43)C=C2)O
InChI InChI=1S/C20H14O3/c1-23-14-8-5-12(6-9-14)15-10-7-13-3-2-4-16-19(13)17(15)11-18(21)20(16)22/h2-11,21H,1H3
InChI Key PVZKBQMWQRUUFI-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C20H14O3
Molecular Weight 302.30 g/mol
Exact Mass 302.094294304 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 4.60

Synonyms

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159853-36-8
2-hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one
2-hydroxy-4-(4-methoxyphenyl)phenalen-1-one
1H-phenalen-1-one, 2-hydroxy-4-(4-methoxyphenyl)-
DTXSID10348561
AKOS032949146
2-hydroxy-4-(4'-methoxyphenyl)-1h-phenalen-1-one
InChI=1/C20H14O3/c1-23-14-8-5-12(6-9-14)15-10-7-13-3-2-4-16-19(13)17(15)11-18(21)20(16)22/h2-11,21H,1H

2D Structure

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2D Structure of 2-hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-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 98.52% 98.95%
CHEMBL1907 P15144 Aminopeptidase N 96.80% 93.31%
CHEMBL1951 P21397 Monoamine oxidase A 96.65% 91.49%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.63% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.87% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.25% 94.00%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 94.07% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.73% 86.33%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 90.56% 96.67%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.95% 99.15%
CHEMBL2535 P11166 Glucose transporter 88.37% 98.75%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 87.61% 82.69%
CHEMBL308 P06493 Cyclin-dependent kinase 1 86.20% 91.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.66% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.46% 99.23%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 83.78% 95.50%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 82.11% 86.92%
CHEMBL1944 P08473 Neprilysin 81.13% 92.63%
CHEMBL2056 P21728 Dopamine D1 receptor 80.86% 91.00%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 80.79% 91.71%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.25% 96.95%

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.
Musa acuminata
Musa balbisiana

Cross-Links

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PubChem 638391
LOTUS LTS0168023
wikiData Q82123499