Acantrifoside E

Details

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Internal ID bb0398ff-2aa1-4769-994a-6265c359f73c
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
IUPAC Name (2S,3R,4S,5S,6R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES (Canonical) CC=CC1=CC(=C(C(=C1)OC)OC2C(C(C(C(O2)CO)O)O)O)OC
SMILES (Isomeric) C/C=C/C1=CC(=C(C(=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC
InChI InChI=1S/C17H24O8/c1-4-5-9-6-10(22-2)16(11(7-9)23-3)25-17-15(21)14(20)13(19)12(8-18)24-17/h4-7,12-15,17-21H,8H2,1-3H3/b5-4+/t12-,13-,14+,15-,17+/m1/s1
InChI Key ZDLGCAQIENQSSF-QIQYSRIJSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H24O8
Molecular Weight 356.40 g/mol
Exact Mass 356.14711772 g/mol
Topological Polar Surface Area (TPSA) 118.00 Ų
XlogP -0.10

Synonyms

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645414-25-1
CHEBI:70615
HY-N2809
AKOS040761304
FS-8775
CS-0023360
Q27138947

2D Structure

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2D Structure of Acantrifoside E

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 96.91% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.65% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 95.81% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.77% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 88.68% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.35% 99.17%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.58% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.57% 95.56%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 86.41% 86.92%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.45% 95.89%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 80.13% 89.62%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Eleutherococcus trifoliatus

Cross-Links

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PubChem 70698195
LOTUS LTS0223875
wikiData Q27138947