3,9,10-Trimethoxybenzo[c]chromen-6-one

Details

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Internal ID 446e5586-9d38-47a3-8b06-091b90e8e402
Taxonomy Phenylpropanoids and polyketides > Coumarins and derivatives
IUPAC Name 3,9,10-trimethoxybenzo[c]chromen-6-one
SMILES (Canonical) COC1=CC2=C(C=C1)C3=C(C=CC(=C3OC)OC)C(=O)O2
SMILES (Isomeric) COC1=CC2=C(C=C1)C3=C(C=CC(=C3OC)OC)C(=O)O2
InChI InChI=1S/C16H14O5/c1-18-9-4-5-10-13(8-9)21-16(17)11-6-7-12(19-2)15(20-3)14(10)11/h4-8H,1-3H3
InChI Key TYNPXQCRAYBXPN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H14O5
Molecular Weight 286.28 g/mol
Exact Mass 286.08412354 g/mol
Topological Polar Surface Area (TPSA) 54.00 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3,9,10-Trimethoxybenzo[c]chromen-6-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
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 95.78% 94.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.52% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.95% 95.56%
CHEMBL1907 P15144 Aminopeptidase N 89.04% 93.31%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.55% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.59% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.15% 89.00%
CHEMBL2535 P11166 Glucose transporter 85.88% 98.75%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.55% 96.00%
CHEMBL3401 O75469 Pregnane X receptor 84.16% 94.73%
CHEMBL2039 P27338 Monoamine oxidase B 82.77% 92.51%
CHEMBL1951 P21397 Monoamine oxidase A 82.38% 91.49%
CHEMBL4208 P20618 Proteasome component C5 82.27% 90.00%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 81.50% 96.67%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.54% 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.
Acacia fasciculifera
Umtiza listeriana

Cross-Links

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PubChem 86011203
LOTUS LTS0180552
wikiData Q105267441