2-cis,6-trans,10-trans-Geranylgeranyl diphosphate

Details

• Internal ID: 3bc23818-72f5-4ea9-9263-3c79ca6791c4
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
• IUPAC Name: phosphono [(2Z,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate
• SMILES (Canonical): CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C
• SMILES (Isomeric): CC(=CCC/C(=C/CC/C(=C/CC/C(=C\COP(=O)(O)OP(=O)(O)O)/C)/C)/C)C
• InChI: InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15-
• InChI Key: OINNEUNVOZHBOX-KWBDAJKESA-N
• Popularity: 8 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₆O₇P₂
• Molecular Weight: 450.40 g/mol
• Exact Mass: 450.19362748 g/mol
• Topological Polar Surface Area (TPSA): 113.00 Ų
• XlogP: 4.40

Synonyms

• trans,trans,cis-Geranylgeranyl diphosphate
• geranylneryl diphosphate
• CHEBI:10698
• trans,trans,cis-Geranylgeranyl pyrophosphate
• 3,7,11,15-tetramethyl-2E,6Z,10Z,14-hexadecatetraen-1-ol diphosphate
• CHEMBL1160061
• LMPR0104010003
• phosphono [(2Z,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate
• Q27108671
• (2Z,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL2094108	P49354	Protein farnesyltransferase	2 nM	Kd	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	91.85%	92.08%
CHEMBL3401	O75469	Pregnane X receptor	90.53%	94.73%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.96%	96.09%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	88.56%	97.29%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	84.21%	83.57%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.69%	99.17%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	82.64%	93.10%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.38%	96.95%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.41%	89.34%
CHEMBL2581	P07339	Cathepsin D	81.24%	98.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 5281909
• LOTUS: LTS0083660
• wikiData: Q27108671