1,3-Dimethoxy-5,8-dihydroxyxanthone

Details

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Internal ID 712b09e8-9ed1-4565-899a-36a91964bd66
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
IUPAC Name 5,8-dihydroxy-1,3-dimethoxyxanthen-9-one
SMILES (Canonical) COC1=CC2=C(C(=C1)OC)C(=O)C3=C(C=CC(=C3O2)O)O
SMILES (Isomeric) COC1=CC2=C(C(=C1)OC)C(=O)C3=C(C=CC(=C3O2)O)O
InChI InChI=1S/C15H12O6/c1-19-7-5-10(20-2)13-11(6-7)21-15-9(17)4-3-8(16)12(15)14(13)18/h3-6,16-17H,1-2H3
InChI Key VMKJQUNNNRUGIK-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H12O6
Molecular Weight 288.25 g/mol
Exact Mass 288.06338810 g/mol
Topological Polar Surface Area (TPSA) 85.20 Ų
XlogP 2.70

Synonyms

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1,3-Dimethoxy-5,8-dihydroxyxanthone
Xanthen-9-one, 1.5
5,8-DIHYDROXY-1,3-DIMETHOXY-9H-XANTHEN-9-ONE
BDBM59193
DTXSID30693580
XD161856

2D Structure

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2D Structure of 1,3-Dimethoxy-5,8-dihydroxyxanthone

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.47% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.68% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.58% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 92.53% 99.15%
CHEMBL3194 P02766 Transthyretin 90.35% 90.71%
CHEMBL4208 P20618 Proteasome component C5 87.56% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.46% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.02% 94.45%
CHEMBL2535 P11166 Glucose transporter 86.42% 98.75%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.75% 93.99%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.29% 86.33%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.74% 85.14%
CHEMBL2581 P07339 Cathepsin D 83.07% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 82.67% 94.73%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.61% 99.23%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 82.29% 80.78%

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 teysmannii

Cross-Links

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PubChem 53348043
LOTUS LTS0042835
wikiData Q82622592