6,10-Dimethyl-2-(4-methyl-5-oxido-2,3-dihydrofuro[3,2-c]quinolin-5-ium-2-yl)undeca-5,9-dien-2-ol

Details

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Internal ID 1ed471d0-a999-42e6-8079-ff2c9f32576c
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 6,10-dimethyl-2-(4-methyl-5-oxido-2,3-dihydrofuro[3,2-c]quinolin-5-ium-2-yl)undeca-5,9-dien-2-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H33NO3/c1-17(2)10-8-11-18(3)12-9-15-25(5,27)23-16-21-19(4)26(28)22-14-7-6-13-20(22)24(21)29-23/h6-7,10,12-14,23,27H,8-9,11,15-16H2,1-5H3
InChI Key HOLWWQAFDQGMEK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C25H33NO3
Molecular Weight 395.50 g/mol
Exact Mass 395.24604391 g/mol
Topological Polar Surface Area (TPSA) 54.90 Ų
XlogP 5.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6,10-Dimethyl-2-(4-methyl-5-oxido-2,3-dihydrofuro[3,2-c]quinolin-5-ium-2-yl)undeca-5,9-dien-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 97.98% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 95.64% 94.73%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 95.50% 92.08%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.10% 95.56%
CHEMBL2039 P27338 Monoamine oxidase B 90.11% 92.51%
CHEMBL2581 P07339 Cathepsin D 88.27% 98.95%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 87.58% 93.65%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.49% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.60% 86.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.94% 95.89%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.73% 89.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.61% 97.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.38% 99.23%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.39% 99.17%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.93% 93.56%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 163192408
LOTUS LTS0077176
wikiData Q104401525