(13Z)-Lycopene

Details

• Internal ID: b944697a-9a93-440f-8291-c6a1601a137d
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Carotenes
• IUPAC Name: (6E,8E,10E,12E,14E,16E,18Z,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
• 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-FZXCKFLSSA-N
• Popularity: 5 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

• (13Z)-Lycopene
• 13018-46-7
• 13-cis-psi,psi-Carotene
• VTJ88XVZ9N
• psi,psi-Carotene, 13-cis-
• UNII-VTJ88XVZ9N
• (6E,8E,10E,12E,14E,16E,18Z,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
• NEOLYCOPENE A
• NEO-A LYCOPENE
• 13'-CIS-LYCOPENE
• DTXSID90920485
• CHEBI:177907
• .PSI.,.PSI.-CAROTENE, 13-CIS-

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

• Psidium guajava

Cross-Links

• PubChem: 6440310
• LOTUS: LTS0195810
• wikiData: Q82893207