(R)-Tetradec-2-en-1,5-olide

Details

Top
Internal ID c9875403-f419-4034-a21b-e1917939a84d
Taxonomy Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones
IUPAC Name (2R)-2-nonyl-2,3-dihydropyran-6-one
SMILES (Canonical) CCCCCCCCCC1CC=CC(=O)O1
SMILES (Isomeric) CCCCCCCCC[C@@H]1CC=CC(=O)O1
InChI InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h9,12-13H,2-8,10-11H2,1H3/t13-/m1/s1
InChI Key CRCMEDPBLYDLQH-CYBMUJFWSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C14H24O2
Molecular Weight 224.34 g/mol
Exact Mass 224.177630004 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 5.20

Synonyms

Top
C-14 massoia lactone
CRCMEDPBLYDLQH-CYBMUJFWSA-N
(2R)-2-nonyl-2,3-dihydropyran-6-one
(6R)-6-Nonyl-5,6-dihydro-2H-pyran-2-one

2D Structure

Top
2D Structure of (R)-Tetradec-2-en-1,5-olide

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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
CHEMBL230 P35354 Cyclooxygenase-2 97.01% 89.63%
CHEMBL2581 P07339 Cathepsin D 94.16% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.17% 97.25%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.16% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.10% 99.17%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.79% 97.09%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 84.58% 92.08%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 83.19% 97.29%
CHEMBL2996 Q05655 Protein kinase C delta 82.07% 97.79%
CHEMBL5103 Q969S8 Histone deacetylase 10 81.97% 90.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 81.87% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 81.32% 94.73%

Plants that contains it

Top
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.
There are no matching plants.

Cross-Links

Top
PubChem 11629959
LOTUS LTS0100234
wikiData Q104968453