Eunicol

Details

Top
Internal ID 626b06f4-1f54-48c6-8dd1-824ef33b6bd0
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name (3E,5E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol
SMILES (Canonical) CC1=CCCC(=CCC(CC1)C(=CC=CC(C)(C)O)C)C
SMILES (Isomeric) C/C/1=C\CC/C(=C/C[C@H](CC1)/C(=C/C=C/C(C)(C)O)/C)/C
InChI InChI=1S/C20H32O/c1-16-8-6-9-17(2)12-14-19(13-11-16)18(3)10-7-15-20(4,5)21/h7-8,10,12,15,19,21H,6,9,11,13-14H2,1-5H3/b15-7+,16-8+,17-12+,18-10+/t19-/m0/s1
InChI Key WHRVEMNVMSIMLA-LBDSQGMQSA-N
Popularity 3 references in papers

Physical and Chemical Properties

Top
Molecular Formula C20H32O
Molecular Weight 288.50 g/mol
Exact Mass 288.245315640 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 4.90

Synonyms

Top
RefChem:139415
(3E,5E)-6-((3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl)-2-methylhepta-3,5-dien-2-ol
(3E,5E)-6-((1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl)-2-methylhepta-3,5-dien-2-ol
CHEMBL1929559

2D Structure

Top
2D Structure of Eunicol

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 96.52% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.99% 91.11%
CHEMBL2581 P07339 Cathepsin D 86.57% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.71% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.41% 96.09%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 82.80% 90.93%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.25% 100.00%
CHEMBL3401 O75469 Pregnane X receptor 81.38% 94.73%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.31% 95.89%
CHEMBL4208 P20618 Proteasome component C5 80.13% 90.00%

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.
There are no matching plants.

Cross-Links

Top
PubChem 56951445
LOTUS LTS0007479
wikiData Q105305769