Compound Summary
Compound Information
gedunin
Compound Name: | gedunin |
Compound CID: | 12004512 |
Synonyms: | gedunin Gedunine (-)-gedunin 2753-30-2 CHEBI:65954 More... |
Iupac Name: | [(1S,2R,4S,7S,8S,11R,12R,17R,19R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-en-19-yl] acetate |
InChI: | InChI=1S/C28H34O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h8-10,12,14,17-18,20-22H,7,11,13H2,1-6H3/t17-,18+,20-,21+,22-,25-,26+,27+,28-/m1/s1 |
InChIKey: | YJXDGWUNRYLINJ-BHAPSIHVSA-N |
Canonical Smiles: | CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)(C)C |
Isomeric Smiles: | CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1([C@]45[C@H](O4)C(=O)O[C@H]([C@@]5(CC3)C)C6=COC=C6)C)C |
Molecular Weight: | 482.6 |
Molecular Formula: | C28H34O7 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
gedunin
Molecular Weight: | 482.6 |
Molecular Formula: | C28H34O7 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 35 |
Complexity: | 1030 |
Synonyms
gedunin
| gedunin | gedunin |
|---|---|
gedunin |
Gedunine |
(-)-gedunin |
2753-30-2 |
CHEBI:65954 |
NSC 113497 |
(1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)-1-(Furan-3-yl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-1,3,3a,4b,5,6,6a,7,8,10a,10b,11,12,12a-tetradecahydronaphtho2,1-foxireno2,3-disochromen-5-yl acetate |
(4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bR)-10-(3-furyl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydrooxirenocphenanthro1,2-dpyran-6-yl acetate |
Oxireno(c)phenanthro(1,2-d)pyran-3,8(3aH,4bH)-dione, 5-(acetyloxy)-1-(3-furanyl)-1,5,6,6a,7,10a,10b,11,12,12a-decahydro-4b,7,7,10a,12a-pentamethyl-,(1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)- |
MLS000563507 |
SCHEMBL598969 |
CHEMBL465226 |
HMS2218K19 |
HMS3413L14 |
HMS3677L14 |
ZINC3978117 |
AKOS024457597 |
SMR000232316 |
XG161760 |
SR-01000721401 |
A1-06837 |
SR-01000721401-2 |
Q15917840 |
(1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)-5-(Acetyloxy)-1-(3-furanyl)-1,5,6,6a,7,10a,10b,11,12,12a,decahydro-4b,7,7,10a,12a,-pentamethyloxirenocphenanthro1,2-dpyran-3,8(3aH,4bH)-dione |
(4aR,6R,6aS,6bR,7aS,10S,10aS,12aR,12bR)-10-(furan-3-yl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydronaphtho2,1-foxirenodisochromen-6-yl acetate |
D-Homo-24-nor-17-oxachola-1,20,22-triene-3,16-dione, 7-(acetyloxy)-14,15:21,23-diepoxy-4,4,8-trimethyl-(5alpha,7alpha,13alpha,14beta,15beta,17aalpha)- |
Experimental Data
gedunin
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 200 | umol/L | 44.8 | 46.81 | 4.477 | NS | MALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200 | umol/L | 50.43 | 50.26 | -0.3429 | NS | MALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 100 | umol/L | 15.86 | 16.17 | 1.968 | NS | N2 | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 45.44 | 47.15 | 3.758 | NS | FEMALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200 | umol/L | 46.64 | 45.59 | -2.257 | NS | MALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 10 | umol/L | 16.69 | 17.83 | 6.818 | S | N2 | 33008901 | Active | ||||
| Caenorhabditis elegans | 100 | umol/L | 16.41 | 16.56 | 0.9218 | NS | N2 | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 61.06 | 63.77 | 4.448 | NS | FEMALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 46.24 | 53.06 | 14.76 | S | FEMALES | 33008901 | Active | ||||
| Caenorhabditis elegans | 10 | umol/L | 15.17 | 15.51 | 2.244 | NS | N2 | 33008901 | Inactive |
Experimental Data Visualization
gedunin
Statistics Data
gedunin
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 6.818 | 1 | 4 | |
| Drosophila melanogaster | 14.76 | 1 | 6 |
Statistics Data Visualization
gedunin
