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(6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-[(6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-[(6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 29066a27-9359-4317-82d8-801dc3fc47e0
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquaterpenoids
IUPAC Name (6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-[(6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-[(6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol
SMILES (Canonical) CC(C)CCCC(C)CCCC(C)CCCC(C)(C1CCC(O1)C(C)(CCCC(C)CCCC(C)CCCC(C)C)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)C2CCC(O2)C(C)(CCCC(C)CCCC(C)CCCC(C)C)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)C3CCC(O3)C(C)(CCCC(C)CCCC(C)CCCC(C)C)O)O
SMILES (Isomeric) C[C@@H](CCC[C@@H](C)CCCC(C)([C@H]1CC[C@@H](O1)C(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]2CC[C@@H](O2)C(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]3CC[C@@H](O3)C(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)O)CCCC(C)C
InChI InChI=1S/C120H236O7/c1-91(2)49-31-55-97(13)61-37-67-103(19)73-43-85-115(25,121)109-79-81-111(123-109)117(27,87-45-75-105(21)69-39-63-99(15)57-33-51-93(5)6)126-119(29,89-47-77-107(23)71-41-65-101(17)59-35-53-95(9)10)113-83-84-114(125-113)120(30,90-48-78-108(24)72-42-66-102(18)60-36-54-96(11)12)127-118(28,88-46-76-106(22)70-40-64-100(16)58-34-52-94(7)8)112-82-80-110(124-112)116(26,122)86-44-74-104(20)68-38-62-98(14)56-32-50-92(3)4/h91-114,121-122H,31-90H2,1-30H3/t97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115?,116?,117?,118?,119?,120?/m1/s1
InChI Key QIKWYKOHENNMID-WEDBAEKBSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C120H236O7
Molecular Weight 1791.10 g/mol
Exact Mass 1790.81446470 g/mol
Topological Polar Surface Area (TPSA) 86.60 Ų
XlogP 46.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-[(6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-[(6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-ol

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL253 P34972 Cannabinoid CB2 receptor 99.37% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.03% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.80% 97.09%
CHEMBL2581 P07339 Cathepsin D 90.61% 98.95%
CHEMBL2179 P04062 Beta-glucocerebrosidase 89.57% 85.31%
CHEMBL2996 Q05655 Protein kinase C delta 88.27% 97.79%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 88.03% 96.47%
CHEMBL237 P41145 Kappa opioid receptor 87.42% 98.10%
CHEMBL3401 O75469 Pregnane X receptor 86.43% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.29% 91.11%
CHEMBL4835 P00338 L-lactate dehydrogenase A chain 85.96% 95.34%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.88% 93.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.21% 99.17%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 85.11% 92.88%
CHEMBL4581 P52732 Kinesin-like protein 1 84.90% 93.18%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 83.84% 95.58%
CHEMBL2094135 Q96BI3 Gamma-secretase 83.63% 98.05%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 82.99% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.10% 95.89%
CHEMBL1907 P15144 Aminopeptidase N 81.91% 93.31%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.83% 97.14%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.67% 100.00%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 81.43% 97.29%
CHEMBL1744525 P43490 Nicotinamide phosphoribosyltransferase 81.03% 96.25%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.72% 92.62%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.14% 95.89%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 101057039
LOTUS LTS0168214
wikiData Q104389833