Isomaculosidine

Details

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Internal ID 9adb334f-fb58-4ba5-84bc-c822abc73090
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Furanoquinolines
IUPAC Name 6,8-dimethoxy-9-methylfuro[2,3-b]quinolin-4-one
SMILES (Canonical) CN1C2=C(C=C(C=C2OC)OC)C(=O)C3=C1OC=C3
SMILES (Isomeric) CN1C2=C(C=C(C=C2OC)OC)C(=O)C3=C1OC=C3
InChI InChI=1S/C14H13NO4/c1-15-12-10(6-8(17-2)7-11(12)18-3)13(16)9-4-5-19-14(9)15/h4-7H,1-3H3
InChI Key FXHBKLQQNAGNJN-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C14H13NO4
Molecular Weight 259.26 g/mol
Exact Mass 259.08445790 g/mol
Topological Polar Surface Area (TPSA) 51.90 Ų
XlogP 2.50

Synonyms

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518-96-7
6,8-dimethoxy-9-methylfuro[2,3-b]quinolin-4-one
Furo(2,3-b)quinolin-4(9H)-one, 6,8-dimethoxy-9-methyl-
orb1689986
SCHEMBL29642595
DTXSID00199741
HY-N3473
MSK197457
AKOS032949112
DA-74567
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Isomaculosidine

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.29% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.75% 94.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.56% 85.14%
CHEMBL2581 P07339 Cathepsin D 91.33% 98.95%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.85% 93.99%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.52% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.65% 96.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 86.68% 93.65%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.17% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.06% 89.00%
CHEMBL4208 P20618 Proteasome component C5 84.62% 90.00%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 84.45% 94.42%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.39% 86.33%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 84.20% 90.95%
CHEMBL2535 P11166 Glucose transporter 83.95% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.85% 94.45%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.29% 95.89%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 81.63% 89.62%

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.
Ageratina saltillensis
Dictamnus albus
Dictamnus dasycarpus
Esenbeckia hartmanii
Grewia villosa
Salta triflora
Salvia polystachya
Trifolium montanum

Cross-Links

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PubChem 3083609
NPASS NPC136545
LOTUS LTS0194824
wikiData Q83072684