7,10-Dihydroxy-1,7-dimethyl-4-isopropylbicyclo[4.4.0]dec-3-ene

Details

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Internal ID 107a32a2-411a-47c0-a456-b28f575f02e8
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene-1,4-diol
SMILES (Canonical) CC(C)C1=CCC2(C(CCC(C2C1)(C)O)O)C
SMILES (Isomeric) CC(C)C1=CCC2(C(CCC(C2C1)(C)O)O)C
InChI InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3)12(9-11)15(4,17)8-6-13(14)16/h5,10,12-13,16-17H,6-9H2,1-4H3
InChI Key SOZSXJHFVBBAOY-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 2.40

Synonyms

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4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene-1,4-diol

2D Structure

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2D Structure of 7,10-Dihydroxy-1,7-dimethyl-4-isopropylbicyclo[4.4.0]dec-3-ene

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 94.92% 97.25%
CHEMBL221 P23219 Cyclooxygenase-1 93.53% 90.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.82% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.18% 91.11%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.25% 100.00%
CHEMBL2581 P07339 Cathepsin D 86.83% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.57% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.42% 97.09%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.27% 93.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.21% 94.45%
CHEMBL2996 Q05655 Protein kinase C delta 81.58% 97.79%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.06% 100.00%

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.
Chimonanthus praecox
Cryptomeria japonica
Homalomena aromatica
Homalomena occulta
Liatris microcephala
Panax japonicus
Petasites tatewakianus
Tagetes erecta

Cross-Links

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PubChem 12313755
LOTUS LTS0158700
wikiData Q105257305