27-Hydroxytriacontan-6-one

Details

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Internal ID c8664b04-da7f-4a02-9381-6cfcc5b323f0
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name 27-hydroxytriacontan-6-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C30H60O2/c1-3-5-22-26-30(32)28-24-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-23-27-29(31)25-4-2/h29,31H,3-28H2,1-2H3
InChI Key JVBFRZXOOOSEFQ-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C30H60O2
Molecular Weight 452.80 g/mol
Exact Mass 452.45933115 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 12.20

Synonyms

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94271-15-5
DTXSID40759020

2D Structure

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2D Structure of 27-Hydroxytriacontan-6-one

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 96.44% 96.09%
CHEMBL2581 P07339 Cathepsin D 96.02% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 95.38% 97.29%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 94.97% 85.94%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.49% 99.17%
CHEMBL4040 P28482 MAP kinase ERK2 94.00% 83.82%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 91.01% 92.08%
CHEMBL230 P35354 Cyclooxygenase-2 90.01% 89.63%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 89.66% 92.86%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 88.56% 95.17%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.84% 97.25%
CHEMBL299 P17252 Protein kinase C alpha 87.17% 98.03%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.23% 93.56%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 85.68% 91.81%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 84.58% 100.00%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 84.14% 100.00%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.33% 100.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.11% 96.95%

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.
Curculigo orchioides

Cross-Links

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PubChem 71330299
LOTUS LTS0220603
wikiData Q82712793