2-(4-Methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propan-2-ol

Details

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Internal ID 7e961201-1e1c-4120-938a-0c6af8a65ac7
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Dihydrofuranoquinolines
IUPAC Name 2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propan-2-ol
SMILES (Canonical) CC(C)(C1CC2=C(C3=CC=CC=C3N=C2O1)OC)O
SMILES (Isomeric) CC(C)(C1CC2=C(C3=CC=CC=C3N=C2O1)OC)O
InChI InChI=1S/C15H17NO3/c1-15(2,17)12-8-10-13(18-3)9-6-4-5-7-11(9)16-14(10)19-12/h4-7,12,17H,8H2,1-3H3
InChI Key OYGWMFMSZPRSPD-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H17NO3
Molecular Weight 259.30 g/mol
Exact Mass 259.12084340 g/mol
Topological Polar Surface Area (TPSA) 51.60 Ų
XlogP 2.50

Synonyms

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OYGWMFMSZPRSPD-UHFFFAOYSA-N
SPECTRUM MATCHES WITH THE ONE IN SCIFINDER OK
2-(4-Methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propan-2-ol
Furo[2,3-b]quinoline-2-methanol, 2,3-dihydro-4-methoxy-.alpha.,.alpha.-dimethyl-
Furo[2,3-b]quinoline-2-methanol, 2,3-dihydro-4-methoxy-.alpha.,.alpha.-dimethyl-, (.+/-.)-

2D Structure

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2D Structure of 2-(4-Methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propan-2-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 97.95% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.38% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.93% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.22% 95.56%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 89.56% 92.62%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.98% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.67% 99.23%
CHEMBL3401 O75469 Pregnane X receptor 85.30% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.49% 96.09%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 82.54% 96.39%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 81.68% 100.00%
CHEMBL2535 P11166 Glucose transporter 80.85% 98.75%

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.
Geijera salicifolia
Haplophyllum griffithianum
Melicope semecarpifolia
Zanthoxylum ailanthoides
Zanthoxylum schinifolium
Zanthoxylum simulans

Cross-Links

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PubChem 12314372
LOTUS LTS0160154
wikiData Q105203195