Terricollene A

Details

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Internal ID 64ced5e2-8cc1-4be3-b77b-82ebefc69ff6
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
IUPAC Name
SMILES (Canonical) C=C=CCOC1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O
SMILES (Isomeric) C=C=CCOC1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI InChI=1S/C17H22O7/c1-2-3-8-22-12-6-4-11(5-7-12)10-23-17-16(21)15(20)14(19)13(9-18)24-17/h3-7,13-21H,1,8-10H2/t13-,14-,15+,16-,17-/m1/s1
InChI Key PLHYONMLZLAVMD-NQNKBUKLSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C17H22O7
Molecular Weight 338.40 g/mol
Exact Mass 338.13655304 g/mol
Topological Polar Surface Area (TPSA) 109.00 Ų
XlogP -0.50

Synonyms

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CHEMBL1078078

2D Structure

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2D Structure of Terricollene A

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.23% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.56% 99.17%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 93.28% 83.57%
CHEMBL3401 O75469 Pregnane X receptor 90.81% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.52% 96.09%
CHEMBL2243 O00519 Anandamide amidohydrolase 88.95% 97.53%
CHEMBL4208 P20618 Proteasome component C5 87.40% 90.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.86% 96.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.58% 94.00%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 85.05% 86.92%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.52% 95.89%
CHEMBL211 P08172 Muscarinic acetylcholine receptor M2 84.32% 94.97%
CHEMBL2563 Q9UQL6 Histone deacetylase 5 83.17% 89.67%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.91% 86.33%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 81.72% 95.83%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.47% 97.09%
CHEMBL2581 P07339 Cathepsin D 81.32% 98.95%
CHEMBL226 P30542 Adenosine A1 receptor 80.27% 95.93%

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 46882749
LOTUS LTS0073241
wikiData Q105210936