Compound Summary
Compound Information
DIHYDROOUABAIN
Compound Name: | DIHYDROOUABAIN |
Compound CID: | 6852401 |
Synonyms: | DIHYDROOUABAIN MLS000069775 MLS002153278 MFCD00049227 1183-35-3 More... |
Iupac Name: | 4-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one |
InChI: | InChI=1S/C29H46O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h13-19,21-25,30-32,34-38H,3-12H2,1-2H3/t13-,14?,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1 |
InChIKey: | ZTFGOPUOTATSAL-CFVDWFIMSA-N |
Canonical Smiles: | CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6CC(=O)OC6)O)CO)O)O)O)O |
Isomeric Smiles: | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6CC(=O)OC6)O)CO)O)O)O)O |
Molecular Weight: | 586.7 |
Molecular Formula: | C29H46O12 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
DIHYDROOUABAIN
Molecular Weight: | 586.7 |
Molecular Formula: | C29H46O12 |
Hydrogen Bond Donor Count: | 8 |
Hydrogen Bond Acceptor Count: | 12 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 41 |
Complexity: | 1030 |
Synonyms
DIHYDROOUABAIN
| DIHYDROOUABAIN | DIHYDROOUABAIN |
|---|---|
DIHYDROOUABAIN |
MLS000069775 |
MLS002153278 |
MFCD00049227 |
1183-35-3 |
SMR000058659 |
4-(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyloxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopentaaphenanthren-17-yl-2-oxolanone |
dihydro-ouabain |
Opera_ID_1180 |
CHEMBL1581197 |
CHEBI:131146 |
REGID_for_CID_6852401 |
HMS2233P07 |
Cardanolide,3-(6-deoxy-a-L-mannopyranosyl)oxy-1,5,11,14,19-pentahydroxy-,(1b,3b,5b,11a,20x)- |
Q27224932 |
Experimental Data
DIHYDROOUABAIN
| 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 | 33 | umol/L | -3 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
DIHYDROOUABAIN
Statistics Data
DIHYDROOUABAIN
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -3 | 1 | 1 |
Statistics Data Visualization
DIHYDROOUABAIN
