8-Isopropyl-2,5-dimethyl-1,2,3,4-tetrahydronaphthalene

Details

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Internal ID d301dbc2-b765-4d0e-a50f-ddaf3b8eed93
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 2,5-dimethyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILES (Canonical) CC1CCC2=C(C=CC(=C2C1)C(C)C)C
SMILES (Isomeric) CC1CCC2=C(C=CC(=C2C1)C(C)C)C
InChI InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,8,10-11H,5,7,9H2,1-4H3
InChI Key LVIDDMJSLAVTSZ-UHFFFAOYSA-N
Popularity 15 references in papers

Physical and Chemical Properties

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Molecular Formula C15H22
Molecular Weight 202.33 g/mol
Exact Mass 202.172150702 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 5.00

Synonyms

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Calamene
8-Isopropyl-2,5-dimethyl-1,2,3,4-tetrahydronaphthalene
1460-96-4
8-Isopropyl-2,5-dimethyltetralin
1406-50-4
2,5-dimethyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
5,6,7,8-tetrahydrocadalene
DTXSID30930881
LVIDDMJSLAVTSZ-UHFFFAOYSA-N
8-Isopropyl-2,5-dimethyl-1,2,3,4-tetrahydronaphthalene #
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 8-Isopropyl-2,5-dimethyl-1,2,3,4-tetrahydronaphthalene

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
CHEMBL2581 P07339 Cathepsin D 92.96% 98.95%
CHEMBL3359 P21462 Formyl peptide receptor 1 90.82% 93.56%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 90.63% 86.00%
CHEMBL2782 P35610 Acyl coenzyme A:cholesterol acyltransferase 1 88.78% 91.65%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 86.96% 97.23%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.45% 95.56%
CHEMBL3155 P34969 Serotonin 7 (5-HT7) receptor 85.06% 90.71%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.85% 96.09%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 83.82% 93.40%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.47% 95.89%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 81.94% 96.47%
CHEMBL4835 P00338 L-lactate dehydrogenase A chain 81.66% 95.34%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 81.54% 89.62%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.74% 91.11%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.44% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.22% 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.
Curcuma kwangsiensis
Curcuma phaeocaulis
Curcuma wenyujin
Curcuma zedoaria
Larix lyallii
Origanum dictamnus
Origanum majorana
Packera tomentosa
Salvia fruticosa

Cross-Links

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PubChem 518975
NPASS NPC115441
LOTUS LTS0255273
wikiData Q75069751