Natural Product (NP) Details
| General Information of the NP (ID: NP2741) | |||||
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| Name |
Epsilon-viniferin
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| Synonyms |
Epsilon-viniferin; 62218-08-0; epsilon-?Viniferin; CHEBI:10556; trans-epsilon-Viniferin; UNII-0K8Z2K6Y7O; 0K8Z2K6Y7O; CHEMBL1224875; C28H22O6; W2075; epsilon-viniferine; 5-[(2R,3R)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-3-benzofuranyl]-1,3-benzenediol; 5-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol; AC1NQYZ4; Resveratrol dimer; 5-{(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol; (-)-epsilon-Viniferin; (-)-trans- -viniferin; SureCN3041632; (-)-Trans-epsilon-viniferin; SCHEMBL3041632; epsilon-Viniferin , HPLC Grade; 253435-07-3; HY-N3841; ZINC4098643; BDBM50531887; MFCD12964987; 5-(2,3-Dihydro-6-hydroxy-2(4-hydroxyphenyl)4-(2-(4-hydroxyphenyl)ethenyl)-3-benzofuranyl)-1,3-benzenediol; CS-0024314; C10289; Q5383943; (2R)-2beta-(4-Hydroxyphenyl)-3alpha-(3,5-dihydroxyphenyl)-4-(4-hydroxystyryl)-2,3-dihydrobenzofuran-6-ol; 1,3-Benzenediol, 5-(2,3-dihydro-6-hydroxy-2(4-hydroxyphenyl)4-(2-(4-hydroxyphenyl)ethenyl)-3-benzofuranyl)-; 5-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)vinyl]-2,3-dihydrobenzofuran-3-yl]benzene-1,3-diol
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| Species Origin | Vitis vinifera ... | Click to Show/Hide | |||
| Vitis vinifera | |||||
| Disease | Prediabete [ICD-11: 5A40] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-4.921
MDCK Permeability
-4.749
PAMPA
- - -
HIA
- - -
Distribution
VDss
-0.03
PPB
91.4%
BBB
- - -
Metabolism
CYP1A2 inhibitor
+++
CYP1A2 substrate
- - -
CYP2C19 inhibitor
- - -
CYP2C19 substrate
- - -
CYP2C9 inhibitor
+++
CYP2C9 substrate
- -
CYP2D6 inhibitor
- - -
CYP2D6 substrate
+++
CYP3A4 inhibitor
+++
CYP3A4 substrate
- - -
CYP2B6 inhibitor
+++
CYP2B6 substrate
- - -
CYP2C8 inhibitor
+++
HLM Stability
+
Excretion
CLplasma
8.171
T1/2
1.952
Toxicity
DILI
- - -
Rat Oral Acute Toxicity
-
FDAMDD
+++
Respiratory
+
Human Hepatotoxicity
+++
Ototoxicity
+
Drug-induced Nephrotoxicity
- -
Drug-induced Neurotoxicity
+
Hematotoxicity
- - -
Genotoxicity
+++
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++).
2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
| Formula |
C28H22O6
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| PubChem CID | |||||
| Canonical SMILES |
C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O
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| InChI |
1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1
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| InChIKey |
FQWLMRXWKZGLFI-YVYUXZJTSA-N
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| CAS Number |
CAS 62218-08-0
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| ChEBI ID | |||||
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| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP | ||||||
| Cisplatin | Bladder cancer | Click to Show/Hide the Molecular Data of This Drug | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Up-regulation | Expression | CASP3 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | CASP8 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | CASP9 | Molecule Info |
Pathway MAP
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| In-vitro Model | C6 | CVCL_0194 | Rat malignant glioma | Rattus norvegicus | ||
| Experimental
Result(s) |
Caspase-8, -9, -3 activation which was determined in vitro, trigerred apoptotic mechanism in C6 cells by using low concentrations of combined cis-platin and Epsilon-viniferin. | |||||
