2,12-Dimethyl-6-methylidene-9-propan-2-yltricyclo[8.4.0.01,5]tetradec-11-en-13-one

Details

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Internal ID 491d8738-ec96-441b-bbd1-5aed5f628482
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 2,12-dimethyl-6-methylidene-9-propan-2-yltricyclo[8.4.0.01,5]tetradec-11-en-13-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H30O/c1-12(2)16-8-6-13(3)17-9-7-15(5)20(17)11-19(21)14(4)10-18(16)20/h10,12,15-18H,3,6-9,11H2,1-2,4-5H3
InChI Key CCZICCNXBIKTJO-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H30O
Molecular Weight 286.50 g/mol
Exact Mass 286.229665576 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 5.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,12-Dimethyl-6-methylidene-9-propan-2-yltricyclo[8.4.0.01,5]tetradec-11-en-13-one

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
CHEMBL2581 P07339 Cathepsin D 91.88% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.55% 95.56%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 90.48% 94.80%
CHEMBL4072 P07858 Cathepsin B 89.91% 93.67%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.13% 97.25%
CHEMBL1937 Q92769 Histone deacetylase 2 87.14% 94.75%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 86.94% 96.47%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 86.68% 93.04%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 85.36% 86.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.02% 90.71%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.88% 91.11%
CHEMBL1871 P10275 Androgen Receptor 84.79% 96.43%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.12% 99.23%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.12% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.52% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.36% 97.09%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 73824057
LOTUS LTS0075806
wikiData Q103817620