1-Propanol

Details

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Internal ID e73393ca-75c8-4507-970e-46601924bf7e
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Primary alcohols
IUPAC Name propan-1-ol
SMILES (Canonical) CCCO
SMILES (Isomeric) CCCO
InChI InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
InChI Key BDERNNFJNOPAEC-UHFFFAOYSA-N
Popularity 25,585 references in papers

Physical and Chemical Properties

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Molecular Formula C3H8O
Molecular Weight 60.10 g/mol
Exact Mass 60.057514874 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 0.30

Synonyms

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propanol
Propan-1-ol
Propyl alcohol
n-propanol
71-23-8
n-Propyl alcohol
ethylcarbinol
Policosanol
optal
1-hydroxypropane
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 1-Propanol

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.56% 96.09%
CHEMBL2581 P07339 Cathepsin D 83.89% 98.95%
CHEMBL2885 P07451 Carbonic anhydrase III 83.68% 87.45%
CHEMBL253 P34972 Cannabinoid CB2 receptor 81.20% 97.25%

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.
Aloe africana
Aloe ferox
Aloe spicata
Aloe vera
Angelica dahurica
Cicuta virosa
Epimedium sagittatum
Ginkgo biloba
Solanum tuberosum
Sorghum bicolor
Vitis vinifera
Zingiber officinale

Cross-Links

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PubChem 1031
NPASS NPC311000