2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,12,14,16,20,30-hexaene

Details

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Internal ID 4576f275-fb69-4ac2-a056-d9b51a9b0a79
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Carotenes
IUPAC Name 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,12,14,16,20,30-hexaene
SMILES (Canonical) CC(CCCC(C)CC=CC(C)CC=CC=C(C)C=CCC(C)CCCC(C)CCC=C(C)C)CCC=C(C)C
SMILES (Isomeric) CC(CCCC(C)CC=CC(C)CC=CC=C(C)C=CCC(C)CCCC(C)CCC=C(C)C)CCC=C(C)C
InChI InChI=1S/C40H70/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-21,25-26,36-40H,13-14,17-18,22-24,27-32H2,1-10H3
InChI Key NTLJZGUSHJLEKV-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C40H70
Molecular Weight 551.00 g/mol
Exact Mass 550.547752233 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 16.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,12,14,16,20,30-hexaene

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
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.91% 94.45%
CHEMBL2885 P07451 Carbonic anhydrase III 90.27% 87.45%
CHEMBL2581 P07339 Cathepsin D 89.78% 98.95%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 88.33% 97.21%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 87.90% 97.29%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.03% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 83.26% 94.73%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.20% 93.56%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.83% 96.95%
CHEMBL221 P23219 Cyclooxygenase-1 82.71% 90.17%
CHEMBL1829 O15379 Histone deacetylase 3 81.86% 95.00%

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.
Averrhoa carambola

Cross-Links

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PubChem 162902584
LOTUS LTS0116962
wikiData Q105185498