1,2,8-Trimethoxy-6-methylnaphthalene

Details

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Internal ID 798fd3bc-0b4b-4f02-a772-05f9bd049903
Taxonomy Benzenoids > Naphthalenes
IUPAC Name 1,2,8-trimethoxy-6-methylnaphthalene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H16O3/c1-9-7-10-5-6-11(15-2)14(17-4)13(10)12(8-9)16-3/h5-8H,1-4H3
InChI Key BSURKHBKQTWXDC-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C14H16O3
Molecular Weight 232.27 g/mol
Exact Mass 232.109944368 g/mol
Topological Polar Surface Area (TPSA) 27.70 Ų
XlogP 3.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1,2,8-Trimethoxy-6-methylnaphthalene

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
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.19% 94.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.21% 96.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.16% 96.09%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 85.17% 89.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.14% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.48% 86.33%
CHEMBL1255126 O15151 Protein Mdm4 81.92% 90.20%
CHEMBL4208 P20618 Proteasome component C5 80.50% 90.00%
CHEMBL2535 P11166 Glucose transporter 80.18% 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.
Diospyros celebica

Cross-Links

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PubChem 13661033
LOTUS LTS0042176
wikiData Q104945429