1-Methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,3-diene

Details

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Internal ID f2f4a121-a2fb-45fd-be96-b66f7b563933
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 1-methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,3-diene
SMILES (Canonical) CC1=CC=C(CC1)C(C)CCC=C(C)C
SMILES (Isomeric) CC1=CC=C(CC1)C(C)CCC=C(C)C
InChI InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14H,5,7,9,11H2,1-4H3
InChI Key NGIVKZGKEPRIGG-UHFFFAOYSA-N
Popularity 0 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 4.70

Synonyms

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1-methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,3-diene
451-55-8
.gamma.-Curcumene
Curcumene, .gamma.-
DTXSID20423873
NGIVKZGKEPRIGG-UHFFFAOYSA-N
1,3-Cyclohexadiene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-
1,3-Cyclohexadiene, 1-(1,5-dimethyl-4-hexen-1-yl)-4-methyl-

2D Structure

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2D Structure of 1-Methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,3-diene

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 92.75% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 89.12% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.84% 96.09%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 85.76% 97.21%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.27% 91.11%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.24% 93.56%
CHEMBL2885 P07451 Carbonic anhydrase III 84.69% 87.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.99% 95.56%
CHEMBL1937 Q92769 Histone deacetylase 2 81.17% 94.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.21% 94.45%

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.
Artemisia schmidtiana
Bidens andicola
Calomeria infausta
Cupressus nootkatensis
Helichrysum mimetes
Libocedrus bidwillii
Olearia teretifolia
Plazia daphnoides
Trixis divaricata subsp. divaricata

Cross-Links

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PubChem 6428861
LOTUS LTS0236580
wikiData Q82236195