5-Methoxy-2-(7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)phenol

Details

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Internal ID c7bb93df-9313-4dee-9820-8d04d9fb50e6
Taxonomy Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
IUPAC Name 5-methoxy-2-(7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)phenol
SMILES (Canonical) CC1=C(OC2=CC3=C(C=C12)OCO3)C4=C(C=C(C=C4)OC)O
SMILES (Isomeric) CC1=C(OC2=CC3=C(C=C12)OCO3)C4=C(C=C(C=C4)OC)O
InChI InChI=1S/C17H14O5/c1-9-12-6-15-16(21-8-20-15)7-14(12)22-17(9)11-4-3-10(19-2)5-13(11)18/h3-7,18H,8H2,1-2H3
InChI Key QOZSIMBNDMXPNO-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H14O5
Molecular Weight 298.29 g/mol
Exact Mass 298.08412354 g/mol
Topological Polar Surface Area (TPSA) 61.10 Ų
XlogP 3.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-Methoxy-2-(7-methylfuro[2,3-f][1,3]benzodioxol-6-yl)phenol

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 99.50% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 95.81% 91.49%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 95.23% 99.15%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.77% 95.56%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 93.79% 96.77%
CHEMBL2039 P27338 Monoamine oxidase B 93.52% 92.51%
CHEMBL4208 P20618 Proteasome component C5 91.82% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.39% 94.00%
CHEMBL2581 P07339 Cathepsin D 90.76% 98.95%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 90.43% 92.62%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 88.74% 94.80%
CHEMBL3492 P49721 Proteasome Macropain subunit 88.49% 90.24%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.64% 89.00%
CHEMBL242 Q92731 Estrogen receptor beta 86.04% 98.35%
CHEMBL2535 P11166 Glucose transporter 85.96% 98.75%
CHEMBL3401 O75469 Pregnane X receptor 85.76% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.73% 99.17%
CHEMBL3438 Q05513 Protein kinase C zeta 85.17% 88.48%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 85.15% 93.65%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.08% 86.33%
CHEMBL1907 P15144 Aminopeptidase N 84.29% 93.31%
CHEMBL240 Q12809 HERG 83.44% 89.76%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 83.35% 82.67%
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 83.12% 93.24%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.82% 95.89%
CHEMBL3714130 P46095 G-protein coupled receptor 6 80.82% 97.36%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 80.26% 96.09%

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.
Indigofera microcarpa

Cross-Links

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PubChem 14134090
LOTUS LTS0136026
wikiData Q105225239