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

Details

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Internal ID 2038aea1-27c0-44d6-a03b-7dfa53e2e322
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (5R)-3,8-dimethyl-5-propan-2-yl-5,6-dihydronaphthalen-2-ol
SMILES (Canonical) CC1=CCC(C2=C1C=C(C(=C2)C)O)C(C)C
SMILES (Isomeric) CC1=CC[C@@H](C2=C1C=C(C(=C2)C)O)C(C)C
InChI InChI=1S/C15H20O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5,7-9,12,16H,6H2,1-4H3/t12-/m1/s1
InChI Key YZHICMXANUYYLB-GFCCVEGCSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20O
Molecular Weight 216.32 g/mol
Exact Mass 216.151415257 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 4.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (5R)-3,8-dimethyl-5-propan-2-yl-5,6-dihydronaphthalen-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
CHEMBL2581 P07339 Cathepsin D 94.95% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.79% 91.11%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 92.07% 90.71%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 90.99% 93.40%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.89% 99.15%
CHEMBL3359 P21462 Formyl peptide receptor 1 89.20% 93.56%
CHEMBL4208 P20618 Proteasome component C5 88.61% 90.00%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 88.59% 90.24%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.64% 89.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.62% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.25% 96.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.96% 95.89%
CHEMBL3492 P49721 Proteasome Macropain subunit 82.51% 90.24%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.86% 93.65%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.72% 89.00%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 80.80% 91.79%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 80.71% 93.03%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 80.42% 85.14%

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
Platycarya strobilacea

Cross-Links

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PubChem 25763850
LOTUS LTS0137799
wikiData Q105369230