Compound Summary
Compound Information
Deoxygedunin
Compound Name: | Deoxygedunin |
Compound CID: | 23241800 |
Synonyms: | Deoxygedunin 21963-95-1 UNII-Z8ANY33BM5 Z8ANY33BM5 NSC-309913 More... |
Iupac Name: | [(1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydro-1H-naphtho[2,1-f]isochromen-5-yl] acetate |
InChI: | InChI=1S/C28H34O6/c1-16(29)33-22-13-19-25(2,3)21(30)8-11-26(19,4)18-7-10-27(5)20(28(18,22)6)14-23(31)34-24(27)17-9-12-32-15-17/h8-9,11-12,14-15,18-19,22,24H,7,10,13H2,1-6H3/t18-,19+,22-,24+,26-,27-,28-/m1/s1 |
InChIKey: | VOUDTVRGPAGHGA-SQIPALKSSA-N |
Canonical Smiles: | CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4=CC(=O)OC(C4(CC3)C)C5=COC=C5)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(C4=CC(=O)O[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C |
Molecular Weight: | 466.6 |
Molecular Formula: | C28H34O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Deoxygedunin
Molecular Weight: | 466.6 |
Molecular Formula: | C28H34O6 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 34 |
Complexity: | 993 |
Synonyms
Deoxygedunin
| Deoxygedunin | Deoxygedunin |
|---|---|
Deoxygedunin |
21963-95-1 |
UNII-Z8ANY33BM5 |
Z8ANY33BM5 |
NSC-309913 |
(1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(Furan-3-yl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-3,4b,5,6,6a,7,8,10a,10b,11,12,12a-dodecahydro-1H-naphtho2,1-fisochromen-5-yl acetate |
(1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(furan-3-yl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5,6,6a,10b,11,12-hexahydro-1H-naphtho2,1-fisochromen-5-yl acetate |
Deoxygeduniun |
14,15-deoxygedunin |
GEDUNIN,15-DEOXY |
SCHEMBL598727 |
CHEMBL482795 |
DTXSID90631483 |
NSC309913 |
(1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(Furan-3-yl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-3,4b,5,6,6a,7,8,10a,10b,11,12,12a-dodecahydro-1H-phenanthro2,1-cpyran-5-yl acetate |
(1R,4bR,5R,6aR,10aR,10bR,12aR)-5-(Acetyloxy)-1-(3-furanyl)-1,5,6,6a,7,10a,10b,11,12,12a-decahydro-4b,7,7,10a,12a-pentamethyl-3H-phenanthro(2,1-C)pyran-3,8(4bh)-dione |
16,14,20,22-tetraen-16-oic acid, 7-(acetyloxy)-21,23-epoxy-17-hydroxy-4,4,8-trimethyl-3-oxo-, .delta.-lactone, (5.alpha.,7.alpha.,13.alpha.,17.alpha.)- |
16,17-Seco-24-norchola-1,14,20,22-tetraen-16-oic acid, 7-(acetyloxy)-21,23-epoxy-17-hydroxy-4,4,8-trimethyl-3-oxo-, delta-lactone, (5alpha,7alpha,13alpha,17alpha)- |
3H-Phenanthro(2,1-C)pyran-3,8(4bh)-dione, 5-(acetyloxy)-1-(3-furanyl)-1,5,6,6a,7,10a,10b,11,12,12a-decahydro-4b,7,7,10a,12a-pentamethyl-, (1R,4bR,5R,6aR,10aR,10bR,12aR)- |
8.beta.-Podocarp-1-ene-.DELTA.14, 13.beta.-(3-furylhydroxymethyl)-7.alpha.-hydroxy-8,13-dimethyl-3-oxo-, 14,13-lactone, acetate |
8beta-Podocarp-1-ene-delta14,alpha-acetic acid, 13beta-(3-furylhydroxymethyl)-7alpha-hydroxy-8,13-dimethyl-3-oxo-, 14,13-lactone, acetate |
D-Homo-24-nor-17-oxachola-1,14,20,22-tetraene-3,16-dione, 7-(acetyloxy)-21,23-epoxy-4,4,8-trimethyl-, (5alpha,7alpha,13alpha,17aalpha)- |
D-Homo-24-nor-17-oxachola-1,20,22-tetraene-3,16-dione, 7-(acetyloxy)-21,23-epoxy-4,4,8-trimethyl-, (5.alpha.,7.alpha.,13.alpha.,17a.alpha.)- |
Experimental Data
Deoxygedunin
| 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 | 20 | umol/L | 61.06 | 59.1 | -3.203 | NS | FEMALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200 | umol/L | 50.43 | 49.57 | -1.702 | NS | MALES | 33008901 | Inactive |
Experimental Data Visualization
Deoxygedunin
Statistics Data
Deoxygedunin
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Drosophila melanogaster | -1.702 | 1 | 2 |
Statistics Data Visualization
Deoxygedunin
