(1S)-4,6,7-trimethyl-1-propan-2-yl-1,2-dihydronaphthalene

Details

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Internal ID 921455f0-5016-4c44-a844-cad95f75e51f
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (1S)-4,6,7-trimethyl-1-propan-2-yl-1,2-dihydronaphthalene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H22/c1-10(2)14-7-6-11(3)15-8-12(4)13(5)9-16(14)15/h6,8-10,14H,7H2,1-5H3/t14-/m0/s1
InChI Key LDMMSWKNENETLX-AWEZNQCLSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H22
Molecular Weight 214.35 g/mol
Exact Mass 214.172150702 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 4.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1S)-4,6,7-trimethyl-1-propan-2-yl-1,2-dihydronaphthalene

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 93.96% 98.95%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 90.63% 90.71%
CHEMBL260 Q16539 MAP kinase p38 alpha 90.35% 97.78%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 88.34% 93.40%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 87.90% 90.24%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.59% 89.62%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.91% 93.56%
CHEMBL4208 P20618 Proteasome component C5 85.14% 90.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.11% 96.09%
CHEMBL240 Q12809 HERG 84.67% 89.76%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.73% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.61% 95.89%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.77% 90.24%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 81.53% 97.23%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 81.47% 96.09%
CHEMBL4581 P52732 Kinesin-like protein 1 80.82% 93.18%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 80.71% 93.65%

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.
Heterotheca inuloides

Cross-Links

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PubChem 163185058
LOTUS LTS0208177
wikiData Q105213552