4-Hydroxy-2-methoxyphenalen-1-one

Details

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Internal ID d5919311-a679-46e4-bbb7-3cf117129b56
Taxonomy Benzenoids > Phenalenes > Phenalenones
IUPAC Name 4-hydroxy-2-methoxyphenalen-1-one
SMILES (Canonical) COC1=CC2=C(C=CC3=C2C(=CC=C3)C1=O)O
SMILES (Isomeric) COC1=CC2=C(C=CC3=C2C(=CC=C3)C1=O)O
InChI InChI=1S/C14H10O3/c1-17-12-7-10-11(15)6-5-8-3-2-4-9(13(8)10)14(12)16/h2-7,15H,1H3
InChI Key WUXLICACQFJZDM-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C14H10O3
Molecular Weight 226.23 g/mol
Exact Mass 226.062994177 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-Hydroxy-2-methoxyphenalen-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
CHEMBL1951 P21397 Monoamine oxidase A 98.95% 91.49%
CHEMBL2581 P07339 Cathepsin D 96.77% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.10% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.64% 91.11%
CHEMBL2535 P11166 Glucose transporter 92.17% 98.75%
CHEMBL1255126 O15151 Protein Mdm4 89.18% 90.20%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.77% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.71% 86.33%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 87.10% 96.67%
CHEMBL1937 Q92769 Histone deacetylase 2 87.01% 94.75%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 86.94% 82.69%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.09% 99.23%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 86.08% 80.78%
CHEMBL3492 P49721 Proteasome Macropain subunit 82.91% 90.24%
CHEMBL1907 P15144 Aminopeptidase N 82.28% 93.31%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.03% 95.50%

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.
Strelitzia reginae

Cross-Links

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PubChem 138983293
LOTUS LTS0061274
wikiData Q105313369