(E)-Longipinocarveol

Details

Top
Internal ID b561ea62-8e6d-4030-bcd1-2e71174449c0
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
IUPAC Name 2,6,6-trimethyl-9-methylidenetricyclo[5.4.0.02,8]undecan-10-ol
SMILES (Canonical) CC1(CCCC2(C3C1C2C(=C)C(C3)O)C)C
SMILES (Isomeric) CC1(CCCC2(C3C1C2C(=C)C(C3)O)C)C
InChI InChI=1S/C15H24O/c1-9-11(16)8-10-13-12(9)15(10,4)7-5-6-14(13,2)3/h10-13,16H,1,5-8H2,2-4H3
InChI Key WAOFYFVAVCDGBJ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H24O
Molecular Weight 220.35 g/mol
Exact Mass 220.182715385 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.60

Synonyms

Top
WAOFYFVAVCDGBJ-UHFFFAOYSA-N

2D Structure

Top
2D Structure of (E)-Longipinocarveol

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 92.70% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.33% 96.09%
CHEMBL1937 Q92769 Histone deacetylase 2 90.24% 94.75%
CHEMBL1951 P21397 Monoamine oxidase A 89.18% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.16% 91.11%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.61% 100.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.88% 92.94%
CHEMBL218 P21554 Cannabinoid CB1 receptor 86.42% 96.61%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.22% 97.09%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 85.43% 82.69%
CHEMBL221 P23219 Cyclooxygenase-1 85.42% 90.17%
CHEMBL1871 P10275 Androgen Receptor 83.00% 96.43%
CHEMBL4370 P16662 UDP-glucuronosyltransferase 2B7 82.63% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.69% 95.89%

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.
Marsupella aquatica
Marsupella emarginata

Cross-Links

Top
PubChem 91749849
LOTUS LTS0231499
wikiData Q104401902