Syringaresinol, (+)-

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	2e95e2f0-51ff-4c1e-9f53-d4fea292019a
Taxonomy	Lignans, neolignans and related compounds > Furanoid lignans
IUPAC Name	4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol
SMILES (Canonical)
SMILES (Isomeric)
InChI	InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1
InChI Key	KOWMJRJXZMEZLD-HCIHMXRSSA-N
Popularity	258 references in papers

Physical and Chemical Properties

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Molecular Formula	C₂₂H₂₆O₈
Molecular Weight	418.40 g/mol
Exact Mass	418.16276778 g/mol
Topological Polar Surface Area (TPSA)	95.80 Å²
XlogP	2.20

Synonyms

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21453-69-0

(+)-lirioresinol B

Syringaresinol, (+)-

CHEBI:47

155K1084GO

NSC-329246

(7alpha,7'alpha,8alpha,8'alpha)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol

PHENOL, 4,4'-((1S,3AR,4S,6AR)-TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1,4-DIYL)BIS(2,6-DIMETHOXY-

4,4'-(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diylbis(2,6-dimethoxyphenol)

4,4'-(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2,6-dimethoxyphenol)

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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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
CHEMBL3979	Q03181	Peroxisome proliferator-activated receptor delta	18110 nM	EC50	PMID: 27450788
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	15010 nM	IC50	PMID: 24224843

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.65%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.03%	96.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	92.64%	92.94%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.58%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.23%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.59%	85.14%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	84.70%	92.62%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.58%	97.09%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.89%	94.00%
CHEMBL2581	P07339	Cathepsin D	81.89%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.35%	89.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.35%	99.17%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	80.39%	89.62%

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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PubChem	443023
NPASS	NPC141765
ChEMBL	CHEMBL361362
LOTUS	LTS0158868
wikiData	Q7663351

Syringaresinol, (+)-

Table of Contents

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties (via admetSAR 2)

Targets

Proven Targets:

Predicted Targets (via Super-PRED):

Plants that contains it

Cross-Links