5-Hydroxy-1-methoxyxanthone

Details

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Internal ID 1b86c469-2185-45f8-9df6-4f804b264150
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 5-hydroxy-1-methoxyxanthen-9-one
SMILES (Canonical) COC1=CC=CC2=C1C(=O)C3=C(O2)C(=CC=C3)O
SMILES (Isomeric) COC1=CC=CC2=C1C(=O)C3=C(O2)C(=CC=C3)O
InChI InChI=1S/C14H10O4/c1-17-10-6-3-7-11-12(10)13(16)8-4-2-5-9(15)14(8)18-11/h2-7,15H,1H3
InChI Key GCAMSSLNXVYMKS-UHFFFAOYSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C14H10O4
Molecular Weight 242.23 g/mol
Exact Mass 242.05790880 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 2.60

Synonyms

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27770-13-4
5-hydroxy-1-methoxyxanthen-9-one
CHEMBL187159
Xanthen-9-one, 5-hydroxy-1-methoxy-
5-Hydroxy-1-methoxy-9H-xanthen-9-one; 5-Hydroxy-1-methoxyxanthen-9-one; 5-Hydroxy-1-methoxyxanthone
9H-Xanthen-9-one, 5-hydroxy-1-methoxy-
DTXSID20333064
5-Hydroxy-1-methoxy-xanthen-9-one
BDBM50155433
AKOS025288581

2D Structure

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2D Structure of 5-Hydroxy-1-methoxyxanthone

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.10% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.33% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.31% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 93.74% 99.23%
CHEMBL3192 Q9BY41 Histone deacetylase 8 93.10% 93.99%
CHEMBL2535 P11166 Glucose transporter 92.38% 98.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.80% 89.00%
CHEMBL2581 P07339 Cathepsin D 91.59% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.20% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.93% 94.45%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 85.60% 94.03%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 83.12% 85.14%
CHEMBL1937 Q92769 Histone deacetylase 2 83.04% 94.75%
CHEMBL3401 O75469 Pregnane X receptor 82.70% 94.73%
CHEMBL1907 P15144 Aminopeptidase N 80.81% 93.31%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.41% 95.50%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.22% 92.62%

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.
Calophyllum thwaitesii
Garcinia linii
Hypericum brasiliense
Mammea acuminata
Mammea africana
Mammea siamensis
Marila laxiflora
Mesua assamica
Mesua ferrea

Cross-Links

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PubChem 479656
LOTUS LTS0153684
wikiData Q105258894