8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-ol

Details

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Internal ID bf0f6303-70b2-452a-8203-43ced4fee613
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Pyranochromenes
IUPAC Name 8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-ol
SMILES (Canonical) CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)O)C
SMILES (Isomeric) CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)O)C
InChI InChI=1S/C14H16O3/c1-14(2)6-5-11-12(17-14)4-3-9-7-10(15)8-16-13(9)11/h3-6,10,15H,7-8H2,1-2H3
InChI Key KAZSRFGQIWPLLH-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C14H16O3
Molecular Weight 232.27 g/mol
Exact Mass 232.109944368 g/mol
Topological Polar Surface Area (TPSA) 38.70 Ų
XlogP 2.20

Synonyms

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BDBM50496211

2D Structure

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2D Structure of 8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-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 96.18% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.10% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.53% 96.09%
CHEMBL2581 P07339 Cathepsin D 91.31% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.55% 95.89%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.12% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.77% 97.09%
CHEMBL4208 P20618 Proteasome component C5 81.43% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.31% 89.00%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 80.66% 100.00%
CHEMBL4051 P13569 Cystic fibrosis transmembrane conductance regulator 80.61% 95.71%
CHEMBL221 P23219 Cyclooxygenase-1 80.45% 90.17%

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.
Glycyrrhiza glabra

Cross-Links

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PubChem 76321811
LOTUS LTS0071518
wikiData Q105138058