(6Z,8E,10Z,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

Details

• Internal ID: 200f0878-0bfe-4eb4-8fdd-48fc7b5a7e7b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Carotenes
• IUPAC Name: (6Z,8E,10Z,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
• SMILES (Canonical): CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C
• SMILES (Isomeric): CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C=C(\C)/CCC=C(C)C)/C)/C)/C)C
• InChI: InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27-,38-28+,39-29-,40-30+
• InChI Key: OAIJSZIZWZSQBC-YWYPFKNKSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₀H₅₆
• Molecular Weight: 536.90 g/mol
• Exact Mass: 536.438201786 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 15.60

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	87.88%	92.08%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.13%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.50%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	82.08%	94.73%
CHEMBL2581	P07339	Cathepsin D	81.67%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	81.30%	90.17%

Plants that contains it

• Artemisia vulgaris
• Calendula officinalis

Cross-Links

• PubChem: 101764622
• LOTUS: LTS0092609
• wikiData: Q105150726