4-Penten-1-OL

Details

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Internal ID 947c605d-71df-4703-b4f3-fd2966febe4f
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Primary alcohols
IUPAC Name pent-4-en-1-ol
SMILES (Canonical) C=CCCCO
SMILES (Isomeric) C=CCCCO
InChI InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2
InChI Key LQAVWYMTUMSFBE-UHFFFAOYSA-N
Popularity 210 references in papers

Physical and Chemical Properties

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Molecular Formula C5H10O
Molecular Weight 86.13 g/mol
Exact Mass 86.073164938 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 1.00

Synonyms

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Pent-4-en-1-ol
821-09-0
4-Pentenol
4-Pentenyl alcohol
4-Pentene-1-ol
W0558TQC6F
NSC-97503
2-Allylethyl alcohol
4-Pentenol-1
UNII-W0558TQC6F
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 4-Penten-1-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
CHEMBL2885 P07451 Carbonic anhydrase III 87.15% 87.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.11% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.51% 99.17%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 80.25% 97.29%

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.
Brassica napus

Cross-Links

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PubChem 13181
LOTUS LTS0051624
wikiData Q27292125