10-Epi-cubebol

Details

Top
Internal ID 3825c2c1-3127-42fc-8763-992bb21c7efc
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (1R,4S,5R,6R,7S,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-ol
SMILES (Canonical) CC1CCC(C2C13C2C(CC3)(C)O)C(C)C
SMILES (Isomeric) C[C@H]1CC[C@H]([C@H]2[C@]13[C@@H]2[C@@](CC3)(C)O)C(C)C
InChI InChI=1S/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3/t10-,11-,12+,13-,14-,15+/m0/s1
InChI Key KONGRWVLXLWGDV-RODWMJHOSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C15H26O
Molecular Weight 222.37 g/mol
Exact Mass 222.198365449 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.90

Synonyms

Top
(-)-10-epicubebol
(-)-10-epi-cubebol
CHEBI:138045
(3S,3aR,3bR,4S,7S,7aR)-3,7-dimethyl-4-(propan-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol

2D Structure

Top
2D Structure of 10-Epi-cubebol

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
CHEMBL4072 P07858 Cathepsin B 94.54% 93.67%
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.70% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.70% 96.09%
CHEMBL3837 P07711 Cathepsin L 90.16% 96.61%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 86.19% 96.38%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.41% 100.00%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 84.20% 92.86%
CHEMBL1937 Q92769 Histone deacetylase 2 84.12% 94.75%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 83.96% 82.69%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 83.79% 96.47%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.50% 95.89%
CHEMBL218 P21554 Cannabinoid CB1 receptor 83.35% 96.61%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.00% 91.11%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 80.85% 92.88%
CHEMBL1871 P10275 Androgen Receptor 80.11% 96.43%

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.
Chamaecyparis obtusa

Cross-Links

Top
PubChem 46187190
LOTUS LTS0164568
wikiData Q74417028