(8R)-5-methoxy-2,2-dimethyl-8-phenyl-8H-pyrano[3,2-g]chromene-6,7-diol

Details

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Internal ID 30c179eb-82aa-402d-ab02-3f98e0e764a8
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids
IUPAC Name (8R)-5-methoxy-2,2-dimethyl-8-phenyl-8H-pyrano[3,2-g]chromene-6,7-diol
SMILES (Canonical) CC1(C=CC2=C(C3=C(C=C2O1)OC(C(=C3O)O)C4=CC=CC=C4)OC)C
SMILES (Isomeric) CC1(C=CC2=C(C3=C(C=C2O1)O[C@@H](C(=C3O)O)C4=CC=CC=C4)OC)C
InChI InChI=1S/C21H20O5/c1-21(2)10-9-13-14(26-21)11-15-16(20(13)24-3)17(22)18(23)19(25-15)12-7-5-4-6-8-12/h4-11,19,22-23H,1-3H3/t19-/m1/s1
InChI Key FVNDHUNJJSPPKP-LJQANCHMSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C21H20O5
Molecular Weight 352.40 g/mol
Exact Mass 352.13107373 g/mol
Topological Polar Surface Area (TPSA) 68.20 Ų
XlogP 3.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (8R)-5-methoxy-2,2-dimethyl-8-phenyl-8H-pyrano[3,2-g]chromene-6,7-diol

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 99.09% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.61% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.83% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.87% 94.45%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 89.87% 94.08%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.14% 85.14%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 86.11% 94.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.56% 95.56%
CHEMBL2535 P11166 Glucose transporter 85.11% 98.75%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.09% 93.99%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 84.99% 97.14%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.72% 89.00%
CHEMBL1951 P21397 Monoamine oxidase A 83.01% 91.49%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 82.70% 89.44%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.22% 99.23%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 81.85% 94.03%
CHEMBL211 P08172 Muscarinic acetylcholine receptor M2 81.77% 94.97%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.72% 99.17%
CHEMBL2581 P07339 Cathepsin D 81.47% 98.95%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 81.42% 94.23%
CHEMBL4208 P20618 Proteasome component C5 80.02% 90.00%

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.
Lonchocarpus guatemalensis
Tephrosia spinosa

Cross-Links

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PubChem 101803955
LOTUS LTS0067397
wikiData Q105002560