15-Hydroxypentadecanoic acid

Details

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Internal ID 01496345-7ab8-4dce-b82e-4312f4b3eadd
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
IUPAC Name 15-hydroxypentadecanoic acid
SMILES (Canonical) C(CCCCCCCO)CCCCCCC(=O)O
SMILES (Isomeric) C(CCCCCCCO)CCCCCCC(=O)O
InChI InChI=1S/C15H30O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h16H,1-14H2,(H,17,18)
InChI Key BZUNJUAMQZRJIP-UHFFFAOYSA-N
Popularity 43 references in papers

Physical and Chemical Properties

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Molecular Formula C15H30O3
Molecular Weight 258.40 g/mol
Exact Mass 258.21949481 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 4.20

Synonyms

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4617-33-8
Pentadecanoic acid, 15-hydroxy-
15-hydroxy-pentadecanoic acid
15-HYDROXYPENTADECANOICACID
FU65P3692T
EINECS 225-026-1
MFCD00039535
SCHEMBL600710
UNII-FU65P3692T
CHEBI:79169
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 15-Hydroxypentadecanoic acid

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 92.95% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.46% 99.17%
CHEMBL5285 Q99683 Mitogen-activated protein kinase kinase kinase 5 87.08% 92.26%
CHEMBL4040 P28482 MAP kinase ERK2 85.81% 83.82%
CHEMBL1781 P11387 DNA topoisomerase I 83.61% 97.00%
CHEMBL2581 P07339 Cathepsin D 83.26% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.22% 91.11%

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.
Angelica archangelica

Cross-Links

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PubChem 78360
LOTUS LTS0149720
wikiData Q27148229