(5R,8R)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol

Details

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Internal ID 25e04c45-b7fe-43a1-9780-15f4c10d697f
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (5R,8R)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILES (Canonical) CC1CCC(C2=C1C=C(C(=C2)C)O)C(C)C
SMILES (Isomeric) C[C@@H]1CC[C@@H](C2=C1C=C(C(=C2)C)O)C(C)C
InChI InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7-10,12,16H,5-6H2,1-4H3/t10-,12-/m1/s1
InChI Key UTBFITAKBXMXCZ-ZYHUDNBSSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H22O
Molecular Weight 218.33 g/mol
Exact Mass 218.167065321 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 4.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (5R,8R)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.62% 91.11%
CHEMBL2581 P07339 Cathepsin D 93.42% 98.95%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 91.12% 93.40%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 90.65% 90.24%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 89.53% 97.23%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 88.12% 90.71%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.83% 89.62%
CHEMBL5203 P33316 dUTP pyrophosphatase 86.73% 99.18%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 85.29% 99.15%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.79% 95.89%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 84.51% 93.65%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.59% 95.56%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.66% 100.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.43% 92.94%
CHEMBL4581 P52732 Kinesin-like protein 1 81.75% 93.18%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.56% 93.03%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.01% 93.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.87% 97.09%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.80% 95.89%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.46% 96.09%

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.
Bazzania trilobata
Ulmus glabra

Cross-Links

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PubChem 13368073
LOTUS LTS0081830
wikiData Q105278667