4-Methoxy-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-3,7-diol

Details

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Internal ID 4e99789c-bf4d-4516-b118-8aa53d8e2daa
Taxonomy Organoheterocyclic compounds > Naphthopyrans
IUPAC Name 4-methoxy-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-3,7-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H24O4/c1-12(2)15-10-17-13(6-7-18(24)22(17)26-5)16-11-19-14(21(25)20(15)16)8-9-23(3,4)27-19/h6-9,11,15,24-25H,1,10H2,2-5H3
InChI Key OTZDQKLKJSGFPB-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H24O4
Molecular Weight 364.40 g/mol
Exact Mass 364.16745924 g/mol
Topological Polar Surface Area (TPSA) 58.90 Ų
XlogP 5.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-Methoxy-10,10-dimethyl-6-prop-1-en-2-yl-5,6-dihydronaphtho[2,1-g]chromene-3,7-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 99.89% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 99.78% 91.49%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.90% 96.09%
CHEMBL2581 P07339 Cathepsin D 93.38% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.96% 94.45%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.20% 99.15%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.73% 89.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.25% 95.89%
CHEMBL4208 P20618 Proteasome component C5 84.65% 90.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.30% 93.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.71% 86.33%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.07% 92.62%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.15% 92.94%
CHEMBL2056 P21728 Dopamine D1 receptor 80.13% 91.00%

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.
Cedrelinga cateniformis

Cross-Links

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PubChem 21636625
LOTUS LTS0235348
wikiData Q105199950