2,3,5,9-Tetramethyltricyclo[6.3.0.01,5]undec-2-ene

Details

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Internal ID a83a8d43-29b0-4f4c-9a3a-a0ab78606b44
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Triquinane sesquiterpenoids > Angular triquinanes
IUPAC Name 2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-2-ene
SMILES (Canonical) CC1CCC23C1CCC2(CC(=C3C)C)C
SMILES (Isomeric) CC1CCC23C1CCC2(CC(=C3C)C)C
InChI InChI=1S/C15H24/c1-10-5-8-15-12(3)11(2)9-14(15,4)7-6-13(10)15/h10,13H,5-9H2,1-4H3
InChI Key VIXZYZFZHINXMQ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24
Molecular Weight 204.35 g/mol
Exact Mass 204.187800766 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 4.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,3,5,9-Tetramethyltricyclo[6.3.0.01,5]undec-2-ene

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
CHEMBL1937 Q92769 Histone deacetylase 2 94.49% 94.75%
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.95% 97.25%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 88.53% 85.30%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.79% 96.09%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 86.60% 86.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.23% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.12% 97.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.18% 93.99%
CHEMBL3920 Q04759 Protein kinase C theta 81.15% 97.69%
CHEMBL4681 P42330 Aldo-keto-reductase family 1 member C3 81.01% 89.05%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.36% 92.94%

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.
Silphium perfoliatum

Cross-Links

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PubChem 13978216
LOTUS LTS0123624
wikiData Q105287086