9-Icosene

Details

• Internal ID: b0f77b47-dfd2-42cf-bb50-7014f59a803a
• Taxonomy: Hydrocarbons > Unsaturated hydrocarbons > Unsaturated aliphatic hydrocarbons
• IUPAC Name: icos-9-ene
• SMILES (Canonical): CCCCCCCCCCC=CCCCCCCCC
• SMILES (Isomeric): CCCCCCCCCCC=CCCCCCCCC
• InChI: InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20H2,1-2H3
• InChI Key: UVLKUUBSZXVVDZ-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₄₀
• Molecular Weight: 280.50 g/mol
• Exact Mass: 280.313001276 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 10.10

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	96.10%	92.08%
CHEMBL230	P35354	Cyclooxygenase-2	94.83%	89.63%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.32%	99.17%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	91.91%	92.86%
CHEMBL2581	P07339	Cathepsin D	90.50%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	89.29%	97.29%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	88.77%	91.81%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	86.15%	85.94%
CHEMBL2885	P07451	Carbonic anhydrase III	84.92%	87.45%
CHEMBL1781	P11387	DNA topoisomerase I	84.48%	97.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.58%	96.09%
CHEMBL1907	P15144	Aminopeptidase N	81.78%	93.31%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.08%	96.95%
CHEMBL221	P23219	Cyclooxygenase-1	80.59%	90.17%

Plants that contains it

• Basella alba
• Terminalia chebula

Cross-Links

• PubChem: 545762
• LOTUS: LTS0275148
• wikiData: Q105279949