(2E,7Z)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol

Details

Top
Internal ID 317fcc5b-f8ce-4488-b5de-59ae64ef2d09
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name (2E,7Z)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol
SMILES (Canonical) CC1=CCCC(C=CC(CC1)C(C)CCC=C(C)C)(C)O
SMILES (Isomeric) C/C/1=C/CCC(/C=C/C(CC1)C(C)CCC=C(C)C)(C)O
InChI InChI=1S/C20H34O/c1-16(2)8-6-10-18(4)19-12-11-17(3)9-7-14-20(5,21)15-13-19/h8-9,13,15,18-19,21H,6-7,10-12,14H2,1-5H3/b15-13+,17-9-
InChI Key QJEFVGHQTVXCQD-FXMRCYRUSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C20H34O
Molecular Weight 290.50 g/mol
Exact Mass 290.260965704 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 5.70

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of (2E,7Z)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 96.88% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.99% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.71% 96.09%
CHEMBL221 P23219 Cyclooxygenase-1 91.96% 90.17%
CHEMBL1937 Q92769 Histone deacetylase 2 91.83% 94.75%
CHEMBL2581 P07339 Cathepsin D 90.51% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.31% 94.45%
CHEMBL1994 P08235 Mineralocorticoid receptor 89.71% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.90% 95.89%
CHEMBL3359 P21462 Formyl peptide receptor 1 88.60% 93.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.33% 97.09%
CHEMBL4227 P25090 Lipoxin A4 receptor 85.88% 100.00%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 85.43% 98.75%
CHEMBL218 P21554 Cannabinoid CB1 receptor 84.22% 96.61%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.16% 95.56%
CHEMBL226 P30542 Adenosine A1 receptor 82.80% 95.93%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 81.98% 96.47%
CHEMBL3430907 Q96GD4 Aurora kinase B/Inner centromere protein 81.66% 97.50%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 81.40% 91.24%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.16% 100.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.99% 93.99%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 80.77% 95.50%
CHEMBL264 Q9Y5N1 Histamine H3 receptor 80.19% 91.43%

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.
There are no matching plants.

Cross-Links

Top
PubChem 14081943
LOTUS LTS0057075
wikiData Q104251773