(1R,5R,6S,7S,10R)-10-methyl-4-methylidene-7-propan-2-yltricyclo[4.4.0.01,5]decane

Details

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Internal ID 5f4afb70-f62b-4a4e-8f75-da5296f10a09
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (1R,5R,6S,7S,10R)-10-methyl-4-methylidene-7-propan-2-yltricyclo[4.4.0.01,5]decane
SMILES (Canonical) CC1CCC(C2C13C2C(=C)CC3)C(C)C
SMILES (Isomeric) C[C@@H]1CC[C@H]([C@@H]2[C@]13[C@H]2C(=C)CC3)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/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13+,14+,15+/m1/s1
InChI Key FSRZGYRCMPZNJF-QTVXIADOSA-N
Popularity 1 reference 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 4.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1R,5R,6S,7S,10R)-10-methyl-4-methylidene-7-propan-2-yltricyclo[4.4.0.01,5]decane

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 87.43% 97.25%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 87.41% 96.38%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.53% 100.00%
CHEMBL4072 P07858 Cathepsin B 84.74% 93.67%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.67% 95.89%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 82.94% 90.24%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.89% 91.11%
CHEMBL1937 Q92769 Histone deacetylase 2 82.73% 94.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.61% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.53% 95.56%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 81.40% 96.47%
CHEMBL5203 P33316 dUTP pyrophosphatase 81.13% 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.
Solidago canadensis

Cross-Links

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PubChem 102588032
LOTUS LTS0135979
wikiData Q105000847