2-(4-hydroxyphenyl)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-9-ol

Details

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Internal ID 79a78972-e5e7-4b0f-9ee3-93bee5514436
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans
IUPAC Name 2-(4-hydroxyphenyl)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-9-ol
SMILES (Canonical) CC1(C(CC2=C(O1)C=CC3=C2OC(CC3)C4=CC=C(C=C4)O)O)C
SMILES (Isomeric) CC1(C(CC2=C(O1)C=CC3=C2OC(CC3)C4=CC=C(C=C4)O)O)C
InChI InChI=1S/C20H22O4/c1-20(2)18(22)11-15-17(24-20)10-6-13-5-9-16(23-19(13)15)12-3-7-14(21)8-4-12/h3-4,6-8,10,16,18,21-22H,5,9,11H2,1-2H3
InChI Key MWPKKKZPSWEABN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H22O4
Molecular Weight 326.40 g/mol
Exact Mass 326.15180918 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 3.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(4-hydroxyphenyl)-8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-9-ol

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 98.60% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.01% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 93.34% 97.09%
CHEMBL4681 P42330 Aldo-keto-reductase family 1 member C3 91.84% 89.05%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.99% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.60% 94.45%
CHEMBL1994 P08235 Mineralocorticoid receptor 89.12% 100.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.50% 95.56%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 87.46% 95.78%
CHEMBL242 Q92731 Estrogen receptor beta 86.28% 98.35%
CHEMBL2581 P07339 Cathepsin D 85.79% 98.95%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 85.49% 91.79%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 84.90% 85.00%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 84.20% 85.11%
CHEMBL217 P14416 Dopamine D2 receptor 84.13% 95.62%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.79% 95.89%
CHEMBL1951 P21397 Monoamine oxidase A 83.79% 91.49%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.32% 92.94%
CHEMBL3438 Q05513 Protein kinase C zeta 82.70% 88.48%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.73% 85.14%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 81.20% 93.40%

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.
Amentotaxus formosana
Brosimum acutifolium

Cross-Links

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PubChem 163040070
LOTUS LTS0159173
wikiData Q105176461