Benzene, 1-(1,5-dimethylhexyl)-4-methyl-

Details

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Internal ID 122bf090-eeb8-4651-a2c9-4e3a38a32dd6
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 1-methyl-4-(6-methylheptan-2-yl)benzene
SMILES (Canonical) CC1=CC=C(C=C1)C(C)CCCC(C)C
SMILES (Isomeric) CC1=CC=C(C=C1)C(C)CCCC(C)C
InChI InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h8-12,14H,5-7H2,1-4H3
InChI Key GVCHCLNHTASCCP-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24
Molecular Weight 204.35 g/mol
Exact Mass 204.187800766 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 5.80

Synonyms

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Dihydrocurcumene
Dihydro-ar-curcumene
1-methyl-4-(6-methylheptan-2-yl)benzene
.alpha.-Curcumene, dihydro-
1461-02-5
2-methyl-6-p-toluyl-heptane
4-(1,5-Dimethylhexyl)toluene
Heptane, 2-methyl-6-p-tolyl-
DTXSID00880728
GVCHCLNHTASCCP-UHFFFAOYSA-N
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Benzene, 1-(1,5-dimethylhexyl)-4-methyl-

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 94.40% 98.95%
CHEMBL1907 P15144 Aminopeptidase N 91.63% 93.31%
CHEMBL3401 O75469 Pregnane X receptor 91.22% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.32% 95.56%
CHEMBL2039 P27338 Monoamine oxidase B 89.25% 92.51%
CHEMBL3359 P21462 Formyl peptide receptor 1 89.17% 93.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.64% 96.09%
CHEMBL4581 P52732 Kinesin-like protein 1 84.26% 93.18%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.26% 96.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.40% 90.71%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 80.25% 97.23%

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.
Juniperus thurifera

Cross-Links

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PubChem 577053
LOTUS LTS0043554
wikiData Q82862090