5-Methyl-2-(6-methylhept-5-en-2-yl)-4-[5-methyl-2-(6-methylhept-5-en-2-yl)phenoxy]phenol

Details

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Internal ID 65141d56-031c-42a6-b9f8-07aba3cdd640
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 5-methyl-2-(6-methylhept-5-en-2-yl)-4-[5-methyl-2-(6-methylhept-5-en-2-yl)phenoxy]phenol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C30H42O2/c1-20(2)11-9-13-23(6)26-16-15-22(5)17-30(26)32-29-19-27(28(31)18-25(29)8)24(7)14-10-12-21(3)4/h11-12,15-19,23-24,31H,9-10,13-14H2,1-8H3
InChI Key ZINMQHYLICDFNX-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C30H42O2
Molecular Weight 434.70 g/mol
Exact Mass 434.318480578 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 10.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-Methyl-2-(6-methylhept-5-en-2-yl)-4-[5-methyl-2-(6-methylhept-5-en-2-yl)phenoxy]phenol

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
CHEMBL2581 P07339 Cathepsin D 95.59% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.56% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 93.38% 94.73%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 92.62% 97.21%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.23% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.56% 99.15%
CHEMBL1951 P21397 Monoamine oxidase A 86.54% 91.49%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.14% 93.56%
CHEMBL1937 Q92769 Histone deacetylase 2 85.40% 94.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.89% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.81% 99.17%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 84.42% 89.62%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 84.39% 94.62%
CHEMBL213 P08588 Beta-1 adrenergic receptor 84.17% 95.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.26% 90.71%
CHEMBL4581 P52732 Kinesin-like protein 1 82.45% 93.18%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.97% 96.00%
CHEMBL245 P20309 Muscarinic acetylcholine receptor M3 80.11% 97.53%

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 73837985
LOTUS LTS0199609
wikiData Q105377372