1,3-Bis(3,7-dimethylocta-2,6-dienyl)-1,3-dimethylguanidine

Details

• Internal ID: 22b889fd-d67b-4e66-bf6d-53d7a1b36a40
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids
• IUPAC Name: 1,3-bis(3,7-dimethylocta-2,6-dienyl)-1,3-dimethylguanidine
• SMILES (Canonical): CC(=CCCC(=CCN(C)C(=N)N(C)CC=C(C)CCC=C(C)C)C)C
• SMILES (Isomeric): CC(=CCCC(=CCN(C)C(=N)N(C)CC=C(C)CCC=C(C)C)C)C
• InChI: InChI=1S/C23H41N3/c1-19(2)11-9-13-21(5)15-17-25(7)23(24)26(8)18-16-22(6)14-10-12-20(3)4/h11-12,15-16,24H,9-10,13-14,17-18H2,1-8H3
• InChI Key: NQJSPBXUQXWVRB-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₄₁N₃
• Molecular Weight: 359.60 g/mol
• Exact Mass: 359.330048321 g/mol
• Topological Polar Surface Area (TPSA): 30.30 Ų
• XlogP: 6.50

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.34%	96.09%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	89.17%	92.08%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	88.82%	93.10%
CHEMBL3401	O75469	Pregnane X receptor	86.15%	94.73%
CHEMBL2581	P07339	Cathepsin D	83.88%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.30%	99.17%
CHEMBL3286	P00749	Urokinase-type plasminogen activator	80.88%	97.88%

Plants that contains it

• Pterogyne nitens

Cross-Links

• PubChem: 85094923
• LOTUS: LTS0009038
• wikiData: Q104179906