Tritriaconta-12,14-dien-5-ol

Details

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Internal ID 6013f874-3a04-4847-9de5-81a302332cdf
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name tritriaconta-12,14-dien-5-ol
SMILES (Canonical) CCCCCCCCCCCCCCCCCCC=CC=CCCCCCCC(CCCC)O
SMILES (Isomeric) CCCCCCCCCCCCCCCCCCC=CC=CCCCCCCC(CCCC)O
InChI InChI=1S/C33H64O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-33(34)31-6-4-2/h22-25,33-34H,3-21,26-32H2,1-2H3
InChI Key CIJPSHANCVXCAK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C33H64O
Molecular Weight 476.90 g/mol
Exact Mass 476.495716661 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 14.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Tritriaconta-12,14-dien-5-ol

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 96.24% 97.29%
CHEMBL2581 P07339 Cathepsin D 95.42% 98.95%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 94.94% 92.86%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 94.06% 92.08%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.87% 99.17%
CHEMBL230 P35354 Cyclooxygenase-2 93.67% 89.63%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.43% 96.09%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 90.26% 91.81%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 90.13% 85.94%
CHEMBL1907 P15144 Aminopeptidase N 88.62% 93.31%
CHEMBL2885 P07451 Carbonic anhydrase III 88.28% 87.45%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.58% 93.56%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 85.37% 100.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.40% 96.95%
CHEMBL221 P23219 Cyclooxygenase-1 82.70% 90.17%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 80.05% 96.00%

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.
Eragrostis curvula

Cross-Links

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PubChem 162903306
LOTUS LTS0095973
wikiData Q104959888