10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol

Details

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Internal ID 044eaab8-3b81-430b-bd24-3e24e74b4020
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 3-O-methylated isoflavonoids
IUPAC Name 10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-diol
SMILES (Canonical) COC1=CC(=CC(=C1O)OC)C2COC3=C(C2O)C=C4C(=C3)CCC5=C4C(=CC(=C5)O)OC
SMILES (Isomeric) COC1=CC(=CC(=C1O)OC)C2COC3=C(C2O)C=C4C(=C3)CCC5=C4C(=CC(=C5)O)OC
InChI InChI=1S/C26H26O7/c1-30-21-10-16(27)6-14-5-4-13-7-20-18(11-17(13)24(14)21)25(28)19(12-33-20)15-8-22(31-2)26(29)23(9-15)32-3/h6-11,19,25,27-29H,4-5,12H2,1-3H3
InChI Key UQRXDLDKKPPLEI-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C26H26O7
Molecular Weight 450.50 g/mol
Exact Mass 450.16785316 g/mol
Topological Polar Surface Area (TPSA) 97.60 Ų
XlogP 3.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 10-(4-hydroxy-3,5-dimethoxyphenyl)-1-methoxy-6,9,10,11-tetrahydro-5H-naphtho[1,2-g]chromene-3,11-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 99.15% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.36% 96.09%
CHEMBL2581 P07339 Cathepsin D 93.81% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.91% 86.33%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 90.35% 85.14%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 89.68% 82.67%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.57% 97.09%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 89.09% 95.89%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 88.85% 92.62%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.70% 99.17%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.05% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.93% 95.89%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.89% 89.00%
CHEMBL4208 P20618 Proteasome component C5 87.72% 90.00%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 86.82% 95.78%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 85.39% 89.62%
CHEMBL2056 P21728 Dopamine D1 receptor 84.50% 91.00%
CHEMBL1951 P21397 Monoamine oxidase A 84.08% 91.49%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.06% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.30% 95.56%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.22% 92.94%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 81.73% 92.68%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 81.72% 94.03%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.11% 90.71%
CHEMBL2413 P32246 C-C chemokine receptor type 1 80.31% 89.50%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.00% 96.95%

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.
Alstonia rostrata
Pleione bulbocodioides

Cross-Links

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PubChem 163031596
LOTUS LTS0096184
wikiData Q105245936