7,11-Dimethyl-3-methylene-1,6Z,10-dodecatriene

Details

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Internal ID 3b7d2750-e058-46b6-be28-1210b72f2821
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (6Z)-2,6-dimethyl-10-methylidenedodeca-2,6-diene
SMILES (Canonical) CCC(=C)CCC=C(C)CCC=C(C)C
SMILES (Isomeric) CCC(=C)CC/C=C(/C)\CCC=C(C)C
InChI InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h9,12H,4,6-8,10-11H2,1-3,5H3/b15-12-
InChI Key APAPGJJZPJQKJJ-QINSGFPZSA-N
Popularity 63 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26
Molecular Weight 206.37 g/mol
Exact Mass 206.203450829 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 6.20

Synonyms

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LMFA11000090

2D Structure

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2D Structure of 7,11-Dimethyl-3-methylene-1,6Z,10-dodecatriene

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
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 96.74% 92.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.67% 96.09%
CHEMBL2581 P07339 Cathepsin D 83.53% 98.95%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 82.49% 93.10%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.30% 99.17%

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 carvifolia
Daucus carota
Leonotis leonurus
Ocimum gratissimum
Origanum minutiflorum
Origanum vulgare
Thymus longicaulis

Cross-Links

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PubChem 56936085
LOTUS LTS0043373
wikiData Q104916156