1-(3-hydroxyprop-1-en-2-yl)-4,7-dimethyl-3,4-dihydro-2H-naphthalene-1,2-diol

Details

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Internal ID 562a84f8-c010-412e-9841-359ba66f08f2
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 1-(3-hydroxyprop-1-en-2-yl)-4,7-dimethyl-3,4-dihydro-2H-naphthalene-1,2-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H20O3/c1-9-4-5-12-10(2)7-14(17)15(18,11(3)8-16)13(12)6-9/h4-6,10,14,16-18H,3,7-8H2,1-2H3
InChI Key UQLMAIUYSBCDSH-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20O3
Molecular Weight 248.32 g/mol
Exact Mass 248.14124450 g/mol
Topological Polar Surface Area (TPSA) 60.70 Ų
XlogP 2.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-(3-hydroxyprop-1-en-2-yl)-4,7-dimethyl-3,4-dihydro-2H-naphthalene-1,2-diol

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.52% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.65% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 91.23% 91.49%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 89.23% 89.62%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.64% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.09% 100.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.42% 95.56%
CHEMBL2581 P07339 Cathepsin D 85.72% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.61% 86.33%
CHEMBL4581 P52732 Kinesin-like protein 1 85.29% 93.18%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.29% 96.95%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 82.90% 86.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.66% 95.89%
CHEMBL1907598 P05106 Integrin alpha-V/beta-3 81.48% 95.71%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.54% 97.25%

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 163066264
LOTUS LTS0084068
wikiData Q104198673