(3S)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol

Details

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Internal ID c182b860-bb41-4ef1-bee2-3b8c70678cc9
Taxonomy Organoheterocyclic compounds > Tetrahydrofurans
IUPAC Name (3S)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H24O2/c1-5-15(4,16)8-6-7-13-10-14(17-11-13)9-12(2)3/h5,7,9,14,16H,1,6,8,10-11H2,2-4H3/t14-,15+/m0/s1
InChI Key YKZPUSGDQAOOKT-LSDHHAIUSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24O2
Molecular Weight 236.35 g/mol
Exact Mass 236.177630004 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 2.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (3S)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-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
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 91.47% 90.93%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.19% 91.11%
CHEMBL2581 P07339 Cathepsin D 88.01% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.96% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 86.87% 97.25%
CHEMBL3401 O75469 Pregnane X receptor 86.71% 94.73%
CHEMBL1977 P11473 Vitamin D receptor 85.16% 99.43%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.45% 89.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 81.76% 97.21%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.38% 96.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.37% 97.09%

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.
Dalbergia parviflora

Cross-Links

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PubChem 163081193
LOTUS LTS0085031
wikiData Q105349983