7,11,11-Trimethylbicyclo[8.1.0]undeca-2,6-diene

Details

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Internal ID 8c7cd2e7-af17-4262-aa71-bc99b2daefc7
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
IUPAC Name 7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene
SMILES (Canonical) CC1=CCCC=CC2C(C2(C)C)CC1
SMILES (Isomeric) CC1=CCCC=CC2C(C2(C)C)CC1
InChI InChI=1S/C14H22/c1-11-7-5-4-6-8-12-13(10-9-11)14(12,2)3/h6-8,12-13H,4-5,9-10H2,1-3H3
InChI Key QFDACAZZBIDYCU-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C14H22
Molecular Weight 190.32 g/mol
Exact Mass 190.172150702 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 4.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7,11,11-Trimethylbicyclo[8.1.0]undeca-2,6-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
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.93% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.32% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.22% 91.11%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.51% 100.00%
CHEMBL230 P35354 Cyclooxygenase-2 85.72% 89.63%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.86% 94.45%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.96% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.88% 95.56%
CHEMBL221 P23219 Cyclooxygenase-1 81.31% 90.17%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 80.88% 86.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.72% 95.89%
CHEMBL1871 P10275 Androgen Receptor 80.61% 96.43%

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.
Pseudognaphalium oligandrum

Cross-Links

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PubChem 86060105
LOTUS LTS0204492
wikiData Q105219490