(1S,6S,7R)-2,6,8,8-Tetramethyltricyclo[5.2.2.01,6]undec-2-ene

Details

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Internal ID 7380b4e1-ab6b-4362-94a2-0d3d8e51d6b6
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
IUPAC Name (1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene
SMILES (Canonical) CC1=CCCC2(C13CCC2C(C3)(C)C)C
SMILES (Isomeric) CC1=CCC[C@@]2([C@]13CC[C@@H]2C(C3)(C)C)C
InChI InChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12-,14+,15+/m1/s1
InChI Key ZCJQJJWNFDNQGZ-SNPRPXQTSA-N
Popularity 2 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 4.90

Synonyms

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(-)-alpha-Neoclovene
(1S,6S,7R)-2,6,8,8-Tetramethyltricyclo[5.2.2.01,6]undec-2-ene
.alpha.-Clovene
DTXSID20746610
ZCJQJJWNFDNQGZ-SNPRPXQTSA-N

2D Structure

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2D Structure of (1S,6S,7R)-2,6,8,8-Tetramethyltricyclo[5.2.2.01,6]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
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 88.90% 86.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.58% 97.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.45% 97.25%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.25% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.65% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.32% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.47% 91.11%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 81.46% 82.69%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.19% 95.89%
CHEMBL1871 P10275 Androgen Receptor 80.43% 96.43%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.20% 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.
Panax ginseng

Cross-Links

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PubChem 15973057
LOTUS LTS0125255
wikiData Q104253457