Npc117493

Details

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Internal ID 7568fb17-4a1a-45fa-9878-1f25d40a4dda
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
IUPAC Name (7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/t18-,19-/m1/s1
InChI Key BOTWFXYSPFMFNR-RTBURBONSA-N
Popularity 376 references in papers

Physical and Chemical Properties

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Molecular Formula C20H40O
Molecular Weight 296.50 g/mol
Exact Mass 296.307915895 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 8.20

Synonyms

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Npc117493
Phytol [FHFI]
UNII-5BC2RZ81NG
SCHEMBL22785
(7R,11R)-3,7,11,15-TETRAMETHYLHEXADEC-2-EN-1-OL
BOTWFXYSPFMFNR-RTBURBONSA-N

2D Structure

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2D Structure of Npc117493

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
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 90.84% 97.29%
CHEMBL2581 P07339 Cathepsin D 89.18% 98.95%
CHEMBL3359 P21462 Formyl peptide receptor 1 87.65% 93.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.39% 96.09%
CHEMBL1907 P15144 Aminopeptidase N 86.16% 93.31%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.29% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.82% 91.11%
CHEMBL2885 P07451 Carbonic anhydrase III 82.76% 87.45%
CHEMBL2039 P27338 Monoamine oxidase B 82.22% 92.51%
CHEMBL3401 O75469 Pregnane X receptor 81.02% 94.73%

Cross-Links

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PubChem 9018
NPASS NPC117493