Compound Summary
Catalpol
Compound Information
Catalpol
Compound Name: | Catalpol |
Compound CID: | 91520 |
Synonyms: | Catalpol 2415-24-9 Catalpinoside CHEMBL513223 CHEBI:69797 More... |
Iupac Name: | (2S,3R,4S,5S,6R)-2-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
InChI: | InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1 |
InChIKey: | LHDWRKICQLTVDL-PZYDOOQISA-N |
Canonical Smiles: | C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O |
Isomeric Smiles: | C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
Molecular Weight: | 362.33 |
Molecular Formula: | C15H22O10 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Catalpol
Molecular Weight: | 362.33 |
Molecular Formula: | C15H22O10 |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 10 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 25 |
Complexity: | 542 |
Synonyms
Catalpol
| Catalpol | Catalpol |
|---|---|
Catalpol |
2415-24-9 |
Catalpinoside |
CHEMBL513223 |
CHEBI:69797 |
De(p-hydroxybenzoyl)catalposide |
UNII-JCX5L7JIC2 |
JCX5L7JIC2 |
Catalposide, des-p-hydroxybenzoyl- |
EINECS 219-324-0 |
Digitalis purpurea L |
SCHEMBL420515 |
Catalpol, >=96% (HPLC) |
DTXSID60178850 |
HY-N0820 |
ZINC8234298 |
BDBM50259972 |
AKOS024264429 |
AC-8052 |
AM84820 |
CCG-208299 |
LMPR0102070007 |
NCGC00163523-01 |
(1AS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl-beta-D-glucopyranoside |
AS-75213 |
beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy- 1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1a-alpha,1b-beta,2-beta,5a-beta,6-beta,6a-alpha))- |
beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))- |
N1352 |
SR-05000002315 |
Q1050267 |
SR-05000002315-2 |
(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-Hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno4,5cyclopenta1,2-cpyran-2-yl beta-D-glucopyranoside |
(1S,5R,6R)-2-(1S,1bS,2S,5aR,6S)-6-hydroxy-1a-((S)-hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydro-1,3-dioxa-cyclopropaainden-2-yloxy-6-((S)-hydroxymethyl)-tetrahydro-pyran-3,4,5-triol |
(2S,3R,4S,5S,6R)-2-(((1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno2,3:4,5cyclopenta1,2-cpyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
(2S,3R,4S,5S,6R)-2-{(1S,2S,4S,5S,6R,10S)-5-HYDROXY-2-(HYDROXYMETHYL)-3,9-DIOXATRICYCLO4.4.0.0(2),?DEC-7-EN-10-YLOXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL |
Experimental Data
Catalpol
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 6.250000000000000 | umol/L | NS | N2 | 33683565 | Inactive | |||||||
| Caenorhabditis elegans | 25.000000000000000 | umol/L | S | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 12.500000000000000 | umol/L | NS | N2 | 33683565 | Inactive | |||||||
| Caenorhabditis elegans | 12.500000000000000 | umol/L | S | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 25.000000000000000 | umol/L | 28.500000000000000 | 50.000000000000000 | S | N2 | 33683565 | Active | |||||
| Caenorhabditis elegans | 150.000000000000000 | ug/mL | 7.300000000000000 | NS | N2 | 33683565 | Inactive |
Experimental Data Visualization
Catalpol
Statistics Data
Catalpol
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 28.500000000000000 | 50.000000000000000 | 1 | 6 |
Statistics Data Visualization
Catalpol
