(3S,6E,10E,14E,18E)-2,3,6,10,15,19,23-heptamethyltetracosa-1,6,10,14,18,22-hexaene

Details

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Internal ID c9415e76-8912-44ad-a192-b2b92ca62cc2
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
IUPAC Name (3S,6E,10E,14E,18E)-2,3,6,10,15,19,23-heptamethyltetracosa-1,6,10,14,18,22-hexaene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C31H52/c1-25(2)15-12-18-29(7)21-13-19-27(5)16-10-11-17-28(6)20-14-22-30(8)23-24-31(9)26(3)4/h15-17,21-22,31H,3,10-14,18-20,23-24H2,1-2,4-9H3/b27-16+,28-17+,29-21+,30-22+/t31-/m0/s1
InChI Key ANCCRFGXJYBRIW-GWIGBQMBSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C31H52
Molecular Weight 424.70 g/mol
Exact Mass 424.406901659 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 12.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (3S,6E,10E,14E,18E)-2,3,6,10,15,19,23-heptamethyltetracosa-1,6,10,14,18,22-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
CHEMBL2581 P07339 Cathepsin D 93.87% 98.95%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 92.36% 92.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.19% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.91% 94.45%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 86.62% 93.10%
CHEMBL4040 P28482 MAP kinase ERK2 85.75% 83.82%

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.
There are no matching plants.

Cross-Links

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PubChem 163194775
LOTUS LTS0218648
wikiData Q104915059