(1S,5R,6S,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene

Details

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Internal ID c98f90e8-30c9-4af0-844e-6bfffc75a7a8
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (1S,5R,6S,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene
SMILES (Canonical) CC1CCC(C2C13C2C(=CC3)C)C(C)C
SMILES (Isomeric) C[C@@H]1CC[C@H]([C@@H]2[C@@]13[C@H]2C(=CC3)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/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13+,14+,15-/m1/s1
InChI Key XUEHVOLRMXNRKQ-CAEXGNQWSA-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 4.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1S,5R,6S,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-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 90.78% 86.00%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 89.29% 97.23%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.98% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.00% 95.56%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 87.78% 89.62%
CHEMBL4072 P07858 Cathepsin B 87.32% 93.67%
CHEMBL1871 P10275 Androgen Receptor 86.34% 96.43%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.82% 97.25%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.33% 95.89%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 83.52% 96.47%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 83.47% 94.80%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.33% 93.56%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.92% 100.00%
CHEMBL1937 Q92769 Histone deacetylase 2 81.46% 94.75%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 81.18% 90.24%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.17% 97.09%

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.
Solidago canadensis

Cross-Links

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PubChem 101454443
LOTUS LTS0101150
wikiData Q105342172