2-Hydroxy-4-phenylphenalen-1-one

Details

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Internal ID 72f405b5-39aa-4b50-921c-507443b6b551
Taxonomy Benzenoids > Naphthalenes > Phenylnaphthalenes
IUPAC Name 2-hydroxy-4-phenylphenalen-1-one
SMILES (Canonical) C1=CC=C(C=C1)C2=C3C=C(C(=O)C4=CC=CC(=C43)C=C2)O
SMILES (Isomeric) C1=CC=C(C=C1)C2=C3C=C(C(=O)C4=CC=CC(=C43)C=C2)O
InChI InChI=1S/C19H12O2/c20-17-11-16-14(12-5-2-1-3-6-12)10-9-13-7-4-8-15(18(13)16)19(17)21/h1-11,20H
InChI Key WQFZXPBMLGMQBO-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C19H12O2
Molecular Weight 272.30 g/mol
Exact Mass 272.083729621 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 4.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Hydroxy-4-phenylphenalen-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 98.48% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 96.79% 91.49%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.53% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.48% 91.11%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 92.48% 96.09%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 90.73% 96.67%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.47% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.58% 99.23%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 83.09% 95.50%
CHEMBL221 P23219 Cyclooxygenase-1 82.93% 90.17%
CHEMBL1937 Q92769 Histone deacetylase 2 80.71% 94.75%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 80.58% 82.69%
CHEMBL1255126 O15151 Protein Mdm4 80.57% 90.20%
CHEMBL5805 Q9NR97 Toll-like receptor 8 80.48% 96.25%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.06% 93.56%
CHEMBL1907 P15144 Aminopeptidase N 80.05% 93.31%

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

Cross-Links

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PubChem 46906667
LOTUS LTS0245850
wikiData Q105310695