1,11-Triacontanediol

Details

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Internal ID 5cfd5224-67e4-4c90-8952-f6f0238ceddc
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name triacontane-1,11-diol
SMILES (Canonical) CCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCO)O
SMILES (Isomeric) CCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCO)O
InChI InChI=1S/C30H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-30(32)28-25-22-19-16-17-20-23-26-29-31/h30-32H,2-29H2,1H3
InChI Key FFFLUGIGEZHIBO-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C30H62O2
Molecular Weight 454.80 g/mol
Exact Mass 454.47498122 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 13.00

Synonyms

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triacontane-1,11-diol
DTXSID401315383
LMFA05000575
180005-30-5

2D Structure

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2D Structure of 1,11-Triacontanediol

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 97.40% 97.29%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 96.08% 92.86%
CHEMBL2885 P07451 Carbonic anhydrase III 95.26% 87.45%
CHEMBL2581 P07339 Cathepsin D 94.67% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.55% 96.09%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 91.14% 92.08%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 89.75% 91.81%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.23% 99.17%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 88.71% 85.94%
CHEMBL230 P35354 Cyclooxygenase-2 88.49% 89.63%
CHEMBL253 P34972 Cannabinoid CB2 receptor 86.78% 97.25%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 85.45% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.68% 93.56%
CHEMBL1907 P15144 Aminopeptidase N 82.72% 93.31%
CHEMBL2996 Q05655 Protein kinase C delta 81.47% 97.79%
CHEMBL299 P17252 Protein kinase C alpha 81.16% 98.03%

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.
Papaver pygmaeum

Cross-Links

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PubChem 57043798
LOTUS LTS0267179
wikiData Q104994428