1,5,9,13,17,21-Hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene

Details

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Internal ID bda0b604-7e41-4df5-83ea-8cb6cf5d91e5
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name 1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene
SMILES (Canonical) CC1=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1)C)C)C)C)C
SMILES (Isomeric) CC1=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1)C)C)C)C)C
InChI InChI=1S/C30H48/c1-25-13-7-15-26(2)17-9-19-28(4)21-11-23-30(6)24-12-22-29(5)20-10-18-27(3)16-8-14-25/h13,16-17,20-21,24H,7-12,14-15,18-19,22-23H2,1-6H3
InChI Key WSUOURBTDCUBEX-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C30H48
Molecular Weight 408.70 g/mol
Exact Mass 408.375601531 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 7.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1,5,9,13,17,21-Hexamethylcyclotetracosa-1,5,9,13,17,21-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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.70% 95.56%
CHEMBL4208 P20618 Proteasome component C5 81.89% 90.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.86% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.34% 91.11%

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.
Alangium ridleyi

Cross-Links

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PubChem 162940857
LOTUS LTS0180412
wikiData Q105312128