Versicone H

Details

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Internal ID 842c124e-76cd-4223-a2be-39fda3465f1c
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 1-(hydroxymethyl)-2,7,8-trimethoxy-3-methylxanthen-9-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H18O6/c1-9-7-13-14(10(8-19)17(9)22-3)16(20)15-11(24-13)5-6-12(21-2)18(15)23-4/h5-7,19H,8H2,1-4H3
InChI Key CKRDELRDYMBUMS-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C18H18O6
Molecular Weight 330.30 g/mol
Exact Mass 330.11033829 g/mol
Topological Polar Surface Area (TPSA) 74.20 Ų
XlogP 2.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Versicone H

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 94.72% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.27% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.95% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.50% 89.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.52% 93.99%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.18% 96.00%
CHEMBL3401 O75469 Pregnane X receptor 85.33% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.39% 91.11%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 83.90% 89.62%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.91% 99.17%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 82.05% 86.92%
CHEMBL2581 P07339 Cathepsin D 81.99% 98.95%
CHEMBL1255126 O15151 Protein Mdm4 81.64% 90.20%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.25% 94.45%
CHEMBL4208 P20618 Proteasome component C5 81.09% 90.00%
CHEMBL2535 P11166 Glucose transporter 80.21% 98.75%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 132543869
LOTUS LTS0223607
wikiData Q103817815