Kazinol Q

Details

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Internal ID c196f9cc-2eb6-4e73-bd04-408dcc99b2a8
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > 2-prenylated flavans
IUPAC Name 4-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-3,6-bis(3-methylbut-2-enyl)benzene-1,2-diol
SMILES (Canonical) CC(=CCC1=CC(=C(C(=C1O)O)CC=C(C)C)C2CCC3=CC(=C(C=C3O2)O)C(C)(C)C=C)C
SMILES (Isomeric) CC(=CCC1=CC(=C(C(=C1O)O)CC=C(C)C)C2CCC3=CC(=C(C=C3O2)O)C(C)(C)C=C)C
InChI InChI=1S/C30H38O4/c1-8-30(6,7)24-16-20-12-14-26(34-27(20)17-25(24)31)23-15-21(11-9-18(2)3)28(32)29(33)22(23)13-10-19(4)5/h8-10,15-17,26,31-33H,1,11-14H2,2-7H3
InChI Key QYAYOTREGBICCU-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C30H38O4
Molecular Weight 462.60 g/mol
Exact Mass 462.27700969 g/mol
Topological Polar Surface Area (TPSA) 69.90 Ų
XlogP 8.50

Synonyms

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CHEMBL453275
LMPK12020238
4-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-2-yl]-3,6-bis(3-methylbut-2-enyl)benzene-1,2-diol

2D Structure

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2D Structure of Kazinol Q

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 99.67% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 95.35% 91.49%
CHEMBL2581 P07339 Cathepsin D 93.18% 98.95%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 91.16% 93.40%
CHEMBL1994 P08235 Mineralocorticoid receptor 90.32% 100.00%
CHEMBL1841 P06241 Tyrosine-protein kinase FYN 90.19% 81.29%
CHEMBL3401 O75469 Pregnane X receptor 90.17% 94.73%
CHEMBL241 Q14432 Phosphodiesterase 3A 89.87% 92.94%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.45% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.14% 95.89%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 86.45% 92.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.40% 86.33%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.12% 85.14%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 84.98% 91.03%
CHEMBL2073 P07947 Tyrosine-protein kinase YES 84.80% 83.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.31% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 83.90% 97.25%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 83.02% 90.24%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.79% 99.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.36% 94.45%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 82.27% 89.34%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.72% 95.56%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.68% 95.89%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 80.00% 93.04%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.00% 89.00%

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.
Broussonetia kazinoki

Cross-Links

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PubChem 10600152
LOTUS LTS0229775
wikiData Q105229995