(1R,2S,6R,7S,8R)-1-methyl-5-methylidene-8-propan-2-yltricyclo[5.3.0.02,6]decane

Details

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Internal ID 1a827f8d-9271-4844-a19b-39ef50e12ba3
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (1R,2S,6R,7S,8R)-1-methyl-5-methylidene-8-propan-2-yltricyclo[5.3.0.02,6]decane
SMILES (Canonical) CC(C)C1CCC2(C1C3C2CCC3=C)C
SMILES (Isomeric) CC(C)[C@H]1CC[C@]2([C@@H]1[C@H]3[C@@H]2CCC3=C)C
InChI InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14+,15-/m1/s1
InChI Key YIRAHEODBQONHI-QKGCVVFFSA-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 4.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1R,2S,6R,7S,8R)-1-methyl-5-methylidene-8-propan-2-yltricyclo[5.3.0.02,6]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
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 93.30% 96.38%
CHEMBL221 P23219 Cyclooxygenase-1 93.03% 90.17%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.77% 97.25%
CHEMBL1871 P10275 Androgen Receptor 89.77% 96.43%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.22% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.02% 94.45%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.50% 95.89%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.03% 100.00%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 82.65% 92.86%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 81.60% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.58% 97.09%
CHEMBL5203 P33316 dUTP pyrophosphatase 80.08% 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.
Mentha × piperita

Cross-Links

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PubChem 101611749
LOTUS LTS0247649
wikiData Q105348987