1-Chloro-3-phenylhex-5-en-3-ol

Details

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Internal ID 80e43199-f5a0-4af5-a964-71afbfe2f1d5
Taxonomy Benzenoids > Benzene and substituted derivatives
IUPAC Name 1-chloro-3-phenylhex-5-en-3-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C12H15ClO/c1-2-8-12(14,9-10-13)11-6-4-3-5-7-11/h2-7,14H,1,8-10H2
InChI Key UCJCMQUVFCYCEH-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C12H15ClO
Molecular Weight 210.70 g/mol
Exact Mass 210.0811428 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 2.90

Synonyms

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SCHEMBL117995
UCJCMQUVFCYCEH-UHFFFAOYSA-N
1-chloro-3-phenyl-hex-5-en-3-ol
A1-15990

2D Structure

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2D Structure of 1-Chloro-3-phenylhex-5-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.27% 91.11%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 87.60% 94.62%
CHEMBL2581 P07339 Cathepsin D 86.37% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.46% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.04% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 82.76% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 81.27% 96.09%
CHEMBL3902 P09211 Glutathione S-transferase Pi 80.41% 93.81%

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.
Schisandra bicolor

Cross-Links

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PubChem 15933475
LOTUS LTS0219436
wikiData Q105269942