(Q4734921)

(2R,3R,10R,11S,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol

inferred from SMILES

stereoisomer of

2 references

(2S,3S,10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol

2 references

(2R,3R,10R,11R,18R,19R)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol

1 reference

(2R,3S,10R,11R,18R,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol

1 reference

(2S,3R,10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol

1 reference

chemical formula

C₄₂H₃₀O₉

1 reference

canonical SMILES

C1=CC(=CC=C1C2C3C4=CC(=CC5=C4C(C(O5)C6=CC=C(C=C6)O)C7=CC(=CC8=C7C(C(O8)C9=CC=C(C=C9)O)C1=CC(=CC(=C31)O2)O)O)O)O

1 reference

isomeric SMILES

Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc5c2[C@@H]4[C@H](c2ccc(O)cc2)O5)[C@H](c2ccc(O)cc2)O3)cc1

0 references

found in taxon

Caragana rosea

1 reference

Identification and determination of oligomeric stilbenes in the roots of Caragana species by capillary electrophoresis

Caragana brevifolia

1 reference

Identification and determination of oligomeric stilbenes in the roots of Caragana species by capillary electrophoresis

Caragana stenophylla

2 references

Identification and determination of oligomeric stilbenes in the roots of Caragana species by capillary electrophoresis

Oligomeric stilbenes from the root of Caragana stenophylla

Caragana korshinskii

1 reference

Identification and determination of oligomeric stilbenes in the roots of Caragana species by capillary electrophoresis

Caragana leucophloea

1 reference

Identification and determination of oligomeric stilbenes in the roots of Caragana species by capillary electrophoresis

Caragana sinica

11 references

Identification and determination of oligomeric stilbenes in the roots of Caragana species by capillary electrophoresis

(+)-Alpha-viniferin, a stilbene trimer from Caragana chamlague, inhibits acetylcholinesterase

(+)-Alpha-viniferin, an anti-inflammatory compound from Caragana chamlagu root

Oligomeric Stilbenes from Caragana chamlagu LAMARK Root.

Three Stilbene Tetramers from the Roots of Caragana sinica

Determination of hypaphorine and oligomeric stilbenes in the root of Caragana sinica by capillary electrophoresis with electrochemical detection

Five novel oligostilbenes from the roots of Caragana sinica

Naturally occurring protein kinase C inhibitors; II. Isolation of oligomeric stilbenes from Caragana sinica

(+)-Alpha-viniferin, an anti-inflammatory compound from Caragana chamlagu root

Antioxidative oligostilbenes from Caragana sinica

Simultaneous determination of the contents of three stilbene oligomers in Caragana sinica collected in different seasons using an improved HPLC method

Dipterocarpus grandiflorus

1 reference

Two New Resveratrol (=5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]benzene-1,3-diol) Tetramers with a Tetrahydrofuran Ring fromDipterocarpus grandiflorus

Carex humilis

2 references

α-Viniferin: A Prostaglandin H2Synthase Inhibitor from Root ofCarex humilis

The effects of alpha-viniferin on adjuvant-induced arthritis in rats

Iris clarkei

1 reference

Resveratrol-type oligostilbenes from Iris clarkei antagonize 20-hydroxyecdysone action in the Drosophila melanogaster B(II) cell line

Shorea hemsleyana

2 references

Stilbenoids isolated from stem bark of Shorea hemsleyana

Stilbenoids isolated from stem bark of Shorea hemsleyana

Sophora davidii

1 reference

Stilbene oligomers in roots of Sophora davidii

Sophora moorcroftiana

1 reference

Stilbene oligomers in roots of Sophora davidii

Hopea reticulata

2 references

Bioactive oligostilbenoids from the stem bark of Hopea exalata

Bioactive oligostilbenoids from the stem bark of Hopea exalata

Carex

1 reference

Resveratrol oligomers isolated from Carex species inhibit growth of human colon tumorigenic cells mediated by cell cycle arrest.

Parthenocissus tricuspidata

1 reference

Two new antioxidant stilbene dimers, parthenostilbenins A and B from Parthenocissus tricuspidata

Plasmopara viticola

1 reference

Profiling of resveratrol oligomers, important stress metabolites, accumulating in the leaves of hybrid Vitis vinifera (Merzling × Teroldego) genotypes infected with Plasmopara viticola

Vitis vinifera

1 reference

Profiling of resveratrol oligomers, important stress metabolites, accumulating in the leaves of hybrid Vitis vinifera (Merzling × Teroldego) genotypes infected with Plasmopara viticola

Hopea exalata

1 reference

Bioactive oligostilbenoids from the stem bark of Hopea exalata

Identifiers

InChI

InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H/t37-,38-,39+,40+,41+,42-/m1/s1

1 reference

KUTVNHOAKHJJFL-ZSIJVUTGSA-N

InChIKey

2 references

ChEBI release 2020-09-01

CAS Registry Number

62218-13-7

2 references

KUTVNHOAKHJJFL-ZSIJVUTGSA-N

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=62218-13-7

ChemSpider ID

333272

1 reference

PubChem CID

196402

1 reference

ChEBI ID

66359

mapping relation type

exact match

1 reference

ChEMBL ID

CHEMBL443463

1 reference

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

1 reference

DSSTOX compound identifier

DTXCID40133765

0 references

Human Metabolome Database ID

HMDB0304750

2 references