31-Hydroxyhentriacontan-7-one

Details

• Internal ID: bf5905c4-08bf-4157-bbfb-cd23aa6b522a
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
• IUPAC Name: 31-hydroxyhentriacontan-7-one
• SMILES (Canonical): CCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCCCCCO
• SMILES (Isomeric): CCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCCCCCO
• InChI: InChI=1S/C31H62O2/c1-2-3-4-25-28-31(33)29-26-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-27-30-32/h32H,2-30H2,1H3
• InChI Key: SHIAAYDMVFZOAR-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₁H₆₂O₂
• Molecular Weight: 466.80 g/mol
• Exact Mass: 466.47498122 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 13.00

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
CHEMBL3060	Q9Y345	Glycine transporter 2	94.42%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.40%	96.09%
CHEMBL230	P35354	Cyclooxygenase-2	92.74%	89.63%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	92.68%	97.29%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	92.03%	92.08%
CHEMBL2581	P07339	Cathepsin D	91.79%	98.95%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	90.45%	85.94%
CHEMBL2885	P07451	Carbonic anhydrase III	87.79%	87.45%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	86.58%	92.86%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	85.94%	91.81%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.52%	96.95%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	81.42%	100.00%
CHEMBL299	P17252	Protein kinase C alpha	81.03%	98.03%

Plants that contains it

• Hygrophila auriculata

Cross-Links

• PubChem: 163192306
• LOTUS: LTS0144971
• wikiData: Q105252983