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Mamanuthaquinone

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 6b3c05d5-3961-4175-8c9e-5c340f398700
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylquinones
IUPAC Name 2-hydroxy-5-methoxy-3-[(1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C22H30O4/c1-13-8-9-15-16(7-6-10-21(15,2)3)22(13,4)12-14-19(24)17(23)11-18(26-5)20(14)25/h9,11,13,16,24H,6-8,10,12H2,1-5H3
InChI Key YXMANDRSLJYXOW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C22H30O4
Molecular Weight 358.50 g/mol
Exact Mass 358.21440943 g/mol
Topological Polar Surface Area (TPSA) 63.60 Ų
XlogP 4.80

Synonyms

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NSC641037
SCHEMBL21397100
2-Hydroxy-5-methoxy-3-((1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl)methyl)benzo-1,4-quinone
2-hydroxy-5-methoxy-3-[(1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl)methyl]-1,4-benzoquinone

2D Structure

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2D Structure of Mamanuthaquinone

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 98.07% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.79% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 94.47% 97.25%
CHEMBL2581 P07339 Cathepsin D 93.93% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.44% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.17% 97.09%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 90.14% 96.77%
CHEMBL218 P21554 Cannabinoid CB1 receptor 89.19% 96.61%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.73% 93.99%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.34% 86.33%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.56% 85.14%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 85.73% 82.69%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.13% 95.89%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.90% 92.94%
CHEMBL1871 P10275 Androgen Receptor 82.63% 96.43%
CHEMBL1937 Q92769 Histone deacetylase 2 81.73% 94.75%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.45% 100.00%
CHEMBL226 P30542 Adenosine A1 receptor 81.43% 95.93%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.41% 96.95%

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.
There are no matching plants.

Cross-Links

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PubChem 495021
LOTUS LTS0115361
wikiData Q105367782