5-Farnesyl-2-methyl-p-benzochinon

Details

• Internal ID: 557e6874-52c8-4667-bf14-015260828469
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: 2-methyl-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohexa-2,5-diene-1,4-dione
• SMILES (Canonical): CC1=CC(=O)C(=CC1=O)CC=C(C)CCC=C(C)CCC=C(C)C
• SMILES (Isomeric): CC1=CC(=O)C(=CC1=O)CC=C(C)CCC=C(C)CCC=C(C)C
• InChI: InChI=1S/C22H30O2/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-15-21(23)19(5)14-22(20)24/h8,10,12,14-15H,6-7,9,11,13H2,1-5H3
• InChI Key: DMYCYVRYLFNVLN-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₃₀O₂
• Molecular Weight: 326.50 g/mol
• Exact Mass: 326.224580195 g/mol
• Topological Polar Surface Area (TPSA): 34.10 Ų
• XlogP: 6.10

Synonyms

There are no found synonyms.

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
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	94.60%	92.08%
CHEMBL2581	P07339	Cathepsin D	93.47%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	91.28%	94.73%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.53%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.81%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.22%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.54%	96.09%

Plants that contains it

• Jacobaea maritima subsp. maritima

Cross-Links

• PubChem: 73175317
• LOTUS: LTS0040699
• wikiData: Q104985388