1,6-Dimethyl-4-propan-2-yl-1,2,4a,7,8,8a-hexahydronaphthalene

Details

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Internal ID a909d171-cbe8-439e-9e71-5cfda6939b56
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 1,6-dimethyl-4-propan-2-yl-1,2,4a,7,8,8a-hexahydronaphthalene
SMILES (Canonical) CC1CC=C(C2C1CCC(=C2)C)C(C)C
SMILES (Isomeric) CC1CC=C(C2C1CCC(=C2)C)C(C)C
InChI InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h8-10,12,14-15H,5-7H2,1-4H3
InChI Key XPWZPBXGUQTUGP-UHFFFAOYSA-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 4.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1,6-Dimethyl-4-propan-2-yl-1,2,4a,7,8,8a-hexahydronaphthalene

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
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 88.90% 97.23%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.08% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.97% 97.25%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 87.80% 86.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.21% 93.56%
CHEMBL2581 P07339 Cathepsin D 86.13% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.33% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.33% 95.56%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 84.79% 94.80%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 83.66% 93.40%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.24% 97.09%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 82.30% 96.47%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.16% 100.00%
CHEMBL3155 P34969 Serotonin 7 (5-HT7) receptor 80.74% 90.71%

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.
Otoba novogranatensis

Cross-Links

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PubChem 129659306
LOTUS LTS0181163
wikiData Q105339036