(2S,3S,5E,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol

Details

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Internal ID c9588863-6e57-4440-a41b-cf37efcde685
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name (2S,3S,5E,7E)-3-methyl-8-phenylocta-5,7-dien-2-ol
SMILES (Canonical) CC(CC=CC=CC1=CC=CC=C1)C(C)O
SMILES (Isomeric) C[C@@H](C/C=C/C=C/C1=CC=CC=C1)[C@H](C)O
InChI InChI=1S/C15H20O/c1-13(14(2)16)9-5-3-6-10-15-11-7-4-8-12-15/h3-8,10-14,16H,9H2,1-2H3/b5-3+,10-6+/t13-,14-/m0/s1
InChI Key ARROMLOSFCWJKF-WRXWZJTCSA-N
Popularity 1 reference 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 4.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2S,3S,5E,7E)-3-methyl-8-phenylocta-5,7-dien-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 93.77% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.87% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 91.57% 96.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.10% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.27% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.02% 91.11%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 85.91% 94.62%
CHEMBL3401 O75469 Pregnane X receptor 85.13% 94.73%
CHEMBL221 P23219 Cyclooxygenase-1 82.16% 90.17%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.84% 90.24%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 102318874
LOTUS LTS0074476
wikiData Q104917532