2-Aminooctadeca-5,9,12,15,17-pentaen-3-ol

Details

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Internal ID c4148673-36bf-4ba6-af2f-6724666de835
Taxonomy Organic nitrogen compounds > Organonitrogen compounds > Amines > Alkanolamines > 1,2-aminoalcohols
IUPAC Name 2-aminooctadeca-5,9,12,15,17-pentaen-3-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h3-5,7-8,10-11,14-15,17-18,20H,1,6,9,12-13,16,19H2,2H3
InChI Key DBUTWWBBBQFAJO-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H29NO
Molecular Weight 275.40 g/mol
Exact Mass 275.224914549 g/mol
Topological Polar Surface Area (TPSA) 46.30 Ų
XlogP 4.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Aminooctadeca-5,9,12,15,17-pentaen-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
CHEMBL4040 P28482 MAP kinase ERK2 93.67% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.30% 96.09%
CHEMBL2581 P07339 Cathepsin D 89.24% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 87.23% 97.29%
CHEMBL2885 P07451 Carbonic anhydrase III 86.21% 87.45%
CHEMBL226 P30542 Adenosine A1 receptor 84.12% 95.93%
CHEMBL1907 P15144 Aminopeptidase N 83.17% 93.31%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.48% 99.17%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.37% 90.24%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 80.66% 83.57%

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 74052412
LOTUS LTS0137568
wikiData Q104974877