(1R,4R,5R,6R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-2-ene

Details

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Internal ID 7ac2a807-9408-4ec4-b160-a9cb2f4c8d5d
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (1R,4R,5R,6R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-2-ene
SMILES (Canonical) CC1CCC(C2C13C2C(C=C3)C)C(C)C
SMILES (Isomeric) C[C@@H]1CC[C@H]([C@H]2[C@]13[C@@H]2[C@@H](C=C3)C)C(C)C
InChI InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7-14H,5-6H2,1-4H3/t10-,11-,12+,13-,14-,15+/m1/s1
InChI Key DFBLVEBCAFIEDH-KYFQHEKYSA-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 5.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1R,4R,5R,6R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-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
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.28% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.50% 96.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.10% 95.89%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.00% 91.11%
CHEMBL3038469 P24941 CDK2/Cyclin A 82.62% 91.38%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 82.36% 94.80%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.93% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.06% 97.09%
CHEMBL4444 P04070 Vitamin K-dependent protein C 80.37% 93.89%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 80.25% 97.23%
CHEMBL5203 P33316 dUTP pyrophosphatase 80.00% 99.18%

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.
Thymus camphoratus

Cross-Links

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PubChem 162882608
LOTUS LTS0124618
wikiData Q104977715