1,8a-Dimethyl-7-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalene-1,3-diol

Details

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Internal ID 5dae3d5a-f8e0-4276-87d4-ac2f579aec7e
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
IUPAC Name 1,8a-dimethyl-7-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalene-1,3-diol
SMILES (Canonical) CC(C)C1CCC2=CC(CC(C2(C1)C)(C)O)O
SMILES (Isomeric) CC(C)C1CCC2=CC(CC(C2(C1)C)(C)O)O
InChI InChI=1S/C15H26O2/c1-10(2)11-5-6-12-7-13(16)9-15(4,17)14(12,3)8-11/h7,10-11,13,16-17H,5-6,8-9H2,1-4H3
InChI Key PBEKLXCZESBENG-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O2
Molecular Weight 238.37 g/mol
Exact Mass 238.193280068 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 2.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1,8a-Dimethyl-7-propan-2-yl-2,3,5,6,7,8-hexahydronaphthalene-1,3-diol

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.02% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.29% 91.11%
CHEMBL221 P23219 Cyclooxygenase-1 91.07% 90.17%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.83% 100.00%
CHEMBL2581 P07339 Cathepsin D 88.68% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.80% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.70% 94.45%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.92% 93.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.84% 97.09%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.58% 95.89%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.36% 95.56%
CHEMBL1871 P10275 Androgen Receptor 80.01% 96.43%

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.
Ursinia trifida

Cross-Links

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PubChem 162982667
LOTUS LTS0068152
wikiData Q105205120