Pinguisenol

Details

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Internal ID b9bd40d8-5806-470a-b5f7-52e7e6e3d796
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (1R,3aS,4S,5S,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H26O/c1-6-15(16)10-9-13(4)11(2)7-8-14(13,5)12(15)3/h6,11-12,16H,1,7-10H2,2-5H3/t11-,12+,13+,14+,15-/m1/s1
InChI Key TUCSIUBDOHTKKQ-CAEXGNQWSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O
Molecular Weight 222.37 g/mol
Exact Mass 222.198365449 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 4.30

Synonyms

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(1R,3aS,4S,5S,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-1,2,3,4,6,7-hexahydroinden-5-ol
RefChem:174318
62121-19-1
CHEBI:67832
Q27136308

2D Structure

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2D Structure of Pinguisenol

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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 92.99% 97.25%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 88.85% 91.03%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.15% 96.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.11% 92.94%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.89% 100.00%
CHEMBL1951 P21397 Monoamine oxidase A 85.64% 91.49%
CHEMBL1902 P62942 FK506-binding protein 1A 85.27% 97.05%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.64% 91.11%
CHEMBL4681 P42330 Aldo-keto-reductase family 1 member C3 84.52% 89.05%
CHEMBL279 P35968 Vascular endothelial growth factor receptor 2 83.45% 95.52%
CHEMBL1871 P10275 Androgen Receptor 80.42% 96.43%

Plants that contains it

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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.
Porella canariensis
Porella densifolia

Cross-Links

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PubChem 11031463
LOTUS LTS0136509
wikiData Q27136308