(1S,2E,6E,10R)-2,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene

Details

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Internal ID d1e89b89-4ce4-4a8b-881a-333bb657f8e0
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
IUPAC Name (1S,2E,6E,10R)-2,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
SMILES (Canonical) CC1=CCCC=C(C2C(C2(C)C)CC1)C
SMILES (Isomeric) C/C/1=C\CC/C=C(/[C@@H]2[C@H](C2(C)C)CC1)\C
InChI InChI=1S/C15H24/c1-11-7-5-6-8-12(2)14-13(10-9-11)15(14,3)4/h7-8,13-14H,5-6,9-10H2,1-4H3/b11-7+,12-8+/t13-,14-/m1/s1
InChI Key GWWKHRPQDGQFPK-AELXNCGGSA-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 4.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1S,2E,6E,10R)-2,7,11,11-tetramethylbicyclo[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 90.92% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.07% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.47% 96.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 89.41% 92.94%
CHEMBL1871 P10275 Androgen Receptor 88.26% 96.43%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.73% 100.00%
CHEMBL221 P23219 Cyclooxygenase-1 86.59% 90.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.51% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.27% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.39% 95.89%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 80.76% 93.40%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.33% 93.99%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 80.14% 96.38%

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.
Thymus camphoratus

Cross-Links

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PubChem 15764614
LOTUS LTS0173494
wikiData Q105022828