Cembrene C

Details

• Internal ID: 7004e808-751a-4003-8891-f67ab360be03
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: (1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylidenecyclotetradeca-1,5,9-triene
• InChI: InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12H,6-7,9-10,13-15H2,1-5H3/b17-8+,18-12+,19-11+
• InChI Key: SHVZFTWRFOQOFU-GDVLXBNMSA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₂
• Molecular Weight: 272.50 g/mol
• Exact Mass: 272.250401021 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 5.40

Synonyms

• CHEBI:82798
• (1E,5E,9E)-1,5,9-trimethyl-12-(propan-2-ylidene)cyclotetradeca-1,5,9-triene
• CHEMBL2414206
• C20922
• Q27156364
• (1E,5E,9E)-12-isopropylidene-1,5,9-trimethylcyclotetradeca-1,5,9-triene
• (1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylidenecyclotetradeca-1,5,9-triene

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.28%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.24%	96.09%
CHEMBL4208	P20618	Proteasome component C5	84.41%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.23%	95.56%
CHEMBL2581	P07339	Cathepsin D	80.82%	98.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 14336535
• LOTUS: LTS0080174
• wikiData: Q27156364