6,10,11-Trihydroxy-8-(3-hydroxy-3-methylbutyl)-3,3-dimethyl-9-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one

Details

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Internal ID 248c3fda-fe30-4390-873d-656a04209ac3
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones
IUPAC Name 6,10,11-trihydroxy-8-(3-hydroxy-3-methylbutyl)-3,3-dimethyl-9-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C28H32O7/c1-14(2)7-8-16-15(9-11-27(3,4)33)20-23(31)21-18(29)13-19-17(10-12-28(5,6)35-19)25(21)34-26(20)24(32)22(16)30/h7,10,12-13,29-30,32-33H,8-9,11H2,1-6H3
InChI Key BHXSXWAJZJTIAQ-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C28H32O7
Molecular Weight 480.50 g/mol
Exact Mass 480.21480336 g/mol
Topological Polar Surface Area (TPSA) 116.00 Ų
XlogP 5.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6,10,11-Trihydroxy-8-(3-hydroxy-3-methylbutyl)-3,3-dimethyl-9-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.77% 91.11%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 97.74% 89.34%
CHEMBL2581 P07339 Cathepsin D 96.54% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 93.60% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.35% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.38% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.06% 89.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.95% 93.99%
CHEMBL4051 P13569 Cystic fibrosis transmembrane conductance regulator 83.40% 95.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.26% 99.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.80% 95.56%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 81.39% 85.30%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.31% 94.00%

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 xanthochymus

Cross-Links

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PubChem 162921236
LOTUS LTS0077673
wikiData Q104936302