Stachyanthuside A

Details

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Internal ID 1d391bbf-1912-4f49-8c83-18d6321a7676
Taxonomy Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins
IUPAC Name 6,14-dihydroxy-7-methoxy-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
SMILES (Canonical) COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)O)OC5C(C(C(C(O5)CO)O)O)O)O
SMILES (Isomeric) COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
InChI InChI=1S/C21H18O13/c1-30-16-7(23)2-5-11-10-6(20(29)34-18(11)16)3-8(13(25)17(10)33-19(5)28)31-21-15(27)14(26)12(24)9(4-22)32-21/h2-3,9,12,14-15,21-27H,4H2,1H3/t9-,12-,14+,15-,21-/m1/s1
InChI Key BBCVPHJIWIMGCN-OZJCBLQYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C21H18O13
Molecular Weight 478.40 g/mol
Exact Mass 478.07474062 g/mol
Topological Polar Surface Area (TPSA) 202.00 Ų
XlogP -0.40

Synonyms

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864779-30-6
[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2-(beta-D-glucopyranosyloxy)-3,7-dihydroxy-8-methoxy-
DTXSID301115025
HY-N7679
AKOS040758404
CS-0135187
2-(beta-D-Glucopyranosyloxy)-3,7-dihydroxy-8-methoxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione

2D Structure

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2D Structure of Stachyanthuside A

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 99.66% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 96.89% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.85% 89.00%
CHEMBL2581 P07339 Cathepsin D 92.12% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.48% 95.56%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 87.29% 96.21%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 86.29% 89.34%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.00% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.21% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.66% 94.45%
CHEMBL3401 O75469 Pregnane X receptor 83.29% 94.73%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.29% 85.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.40% 95.89%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.06% 96.00%

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.
Eucalyptus globulus

Cross-Links

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PubChem 11225342
LOTUS LTS0183409
wikiData Q104922645