2,6,7-Trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene

Details

Top
Internal ID 16d85475-1e11-4dc8-9e7c-9635a23eb198
Taxonomy Hydrocarbons > Unsaturated hydrocarbons > Branched unsaturated hydrocarbons
IUPAC Name 2,6,7-trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene
SMILES (Canonical) CC12CCCC1(C3(CC2C(=C)C=C3)C)C
SMILES (Isomeric) CC12CCCC1(C3(CC2C(=C)C=C3)C)C
InChI InChI=1S/C15H22/c1-11-6-9-13(2)10-12(11)14(3)7-5-8-15(13,14)4/h6,9,12H,1,5,7-8,10H2,2-4H3
InChI Key JRVADZCIHISZKL-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H22
Molecular Weight 202.33 g/mol
Exact Mass 202.172150702 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 4.90

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 2,6,7-Trimethyl-10-methylidenetricyclo[5.3.1.02,6]undec-8-ene

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.74% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.87% 91.11%
CHEMBL221 P23219 Cyclooxygenase-1 90.20% 90.17%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.75% 97.25%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.39% 97.09%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 84.06% 82.69%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.81% 100.00%
CHEMBL2581 P07339 Cathepsin D 83.20% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.86% 95.56%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 80.64% 86.00%

Plants that contains it

Top
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.
Aesculus hippocastanum
Allium ampeloprasum
Allium cepa
Angelica gigas
Chrysopogon zizanioides
Coffea arabica
Reboulia hemisphaerica

Cross-Links

Top
PubChem 101414595
LOTUS LTS0216176
wikiData Q104909353