Compound Summary


  Compound Information
 2,3-Dehydrosilybin A

Compound Name:

2,3-Dehydrosilybin A

Compound CID:

10696082

Synonyms:

2,3-Dehydrosilybin A

25166-14-7

CHEMBL315670

DTXSID60858706



More...

Iupac Name:

3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one

InChI:

InChI=1S/C25H20O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,24,26-29,31H,10H2,1H3/t20-,24-/m1/s1

InChIKey:

BVKQRAYKLBRNIK-HYBUGGRVSA-N

Canonical Smiles:

COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O

Isomeric Smiles:

COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O

Molecular Weight:

480.4

Molecular Formula:

C25H20O10

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 2,3-Dehydrosilybin A

Molecular Weight:

480.4

Molecular Formula:

C25H20O10

Hydrogen Bond Donor Count:

5

Hydrogen Bond Acceptor Count:

10

Rotatable Bond Count:

4

Heavy Atom Count:

35

Complexity:

816

  Synonyms
 2,3-Dehydrosilybin A

2,3-Dehydrosilybin A 2,3-Dehydrosilybin A

2,3-Dehydrosilybin A

25166-14-7

CHEMBL315670

DTXSID60858706

  Experimental Data
 2,3-Dehydrosilybin A

Species Dosage Unit CG Lifespan(AVG/MED days) TG Lifespan(AVG/MED days) Lifespan Change(AVG/MED%) CG Lifespan(MAX days) TG Lifespan(MAX days) Lifespan Change(MAX%) Significant Strain Gender PubMed Active Label
Caenorhabditis elegans 10 umol/L NS N2 33683565 Inactive
Caenorhabditis elegans 10 umol/L 12.55 S N2 33683565 Active
Caenorhabditis elegans 10 umol/L 21.25 24.67 0.16 S N2 28039083 Active
Caenorhabditis elegans 20 umol/L 2.16 NS N2 33683565 Inactive
Caenorhabditis elegans 5 umol/L 20.88 21.33 0.02 S N2 28039083 Active
Caenorhabditis elegans 10 umol/L 20.88 23 0.1 S N2 28039083 Active
Caenorhabditis elegans 5 umol/L 2.16 S N2 33683565 Active
Caenorhabditis elegans 10 umol/L 10.15 S N2 33683565 Active
Caenorhabditis elegans 10 umol/L 1.18 S N2 33683565 Active
Caenorhabditis elegans 10 umol/L 5.45 NS N2 33683565 Inactive
Caenorhabditis elegans 20 umol/L 20.88 21.33 0.02 NS N2 28039083 Inactive
  Experimental Data Visualization
 2,3-Dehydrosilybin A

  Statistics Data
 2,3-Dehydrosilybin A

Species Lifespan Change(AVG/MED%) Lifespan Change(MAX%) Count Reference Count Data point
Caenorhabditis elegans 12.55 2 11
  Statistics Data Visualization
 2,3-Dehydrosilybin A