2H,6H-Pyrano(3,2-b)xanthen-6-one, 7,12-dihydroxy-2,2-dimethyl-

Details

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Internal ID 1f05a658-a225-446b-8986-4829016c604c
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones
IUPAC Name 7,12-dihydroxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one
SMILES (Canonical) CC1(C=CC2=CC3=C(C(=C2O1)O)OC4=CC=CC(=C4C3=O)O)C
SMILES (Isomeric) CC1(C=CC2=CC3=C(C(=C2O1)O)OC4=CC=CC(=C4C3=O)O)C
InChI InChI=1S/C18H14O5/c1-18(2)7-6-9-8-10-14(20)13-11(19)4-3-5-12(13)22-17(10)15(21)16(9)23-18/h3-8,19,21H,1-2H3
InChI Key LDJKLVIJEDDQDJ-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C18H14O5
Molecular Weight 310.30 g/mol
Exact Mass 310.08412354 g/mol
Topological Polar Surface Area (TPSA) 76.00 Ų
XlogP 3.70

Synonyms

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82667-93-4
DTXSID10231944

2D Structure

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2D Structure of 2H,6H-Pyrano(3,2-b)xanthen-6-one, 7,12-dihydroxy-2,2-dimethyl-

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 99.24% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 98.19% 91.49%
CHEMBL1806 P11388 DNA topoisomerase II alpha 95.92% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.08% 94.45%
CHEMBL2581 P07339 Cathepsin D 94.50% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.22% 95.56%
CHEMBL3192 Q9BY41 Histone deacetylase 8 91.67% 93.99%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.49% 99.23%
CHEMBL3401 O75469 Pregnane X receptor 89.15% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.91% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.31% 86.33%
CHEMBL1937 Q92769 Histone deacetylase 2 85.46% 94.75%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.19% 85.14%
CHEMBL2535 P11166 Glucose transporter 80.69% 98.75%

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.
Garcinia gardneriana
Garcinia linii
Garcinia merguensis

Cross-Links

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PubChem 5488729
LOTUS LTS0069058
wikiData Q83112951