Compound Summary
Compound Information
Glaucarubinone
Compound Name: | Glaucarubinone |
Compound CID: | 441796 |
Synonyms: | Glaucarubinone 1259-86-5 (+)-Glaucarubinone MLS002703011 CHEBI:5371 More... |
Iupac Name: | [(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (2S)-2-hydroxy-2-methylbutanoate |
InChI: | InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-12,14-18,20,27-28,31-32H,6,8-9H2,1-5H3/t11-,12+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1 |
InChIKey: | WRBGCYVAJRRQKP-STDAJNJZSA-N |
Canonical Smiles: | CCC(C)(C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C)O |
Isomeric Smiles: | CC[C@@](C)(C(=O)O[C@@H]1[C@H]2[C@H]([C@H]([C@]3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)C)O |
Molecular Weight: | 494.5 |
Molecular Formula: | C25H34O10 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Glaucarubinone
Molecular Weight: | 494.5 |
Molecular Formula: | C25H34O10 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 10 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 35 |
Complexity: | 1020 |
Synonyms
Glaucarubinone
| Glaucarubinone | Glaucarubinone |
|---|---|
Glaucarubinone |
1259-86-5 |
(+)-Glaucarubinone |
MLS002703011 |
CHEBI:5371 |
NSC 277286 |
NSC132791 |
AC1L9BOD |
CHEMBL458347 |
SCHEMBL1276887 |
Butyric acid, 4-ester with 1,3a.beta.,4,7,7a.alpha.,11,11a,11b.alpha.-octahydro-1.alpha.,2.alpha.,4.beta.,11.beta.-tetrahydroxy-3.alpha.,8,11a.beta.-trimethyl-2H-1,11c.beta.-(epoxymethano)phenanthro10,1-bcpyran-5,10(3H,6a.beta.H)-dione |
Picras-3-ene-2, 11,20-epoxy-1,11,12-trihydroxy-15-(2-hydroxy-2-methyl-1-oxobutoxy)-, 1.beta.,11.beta.,12.alpha.,15.beta.(S)- |
NSC-132791 |
NCI60_000722 |
C08763 |
Q27106736 |
(S)-(1R,2R,3R,3aS,3a1S,4R,6aR,7aS,11S,11aS,11bR)-1,2,11-Trihydroxy-3,8,11a-trimethyl-5,10-dioxo-2,3,3a,4,5,6a,7,7a,10,11,11a,11b-dodecahydro-1H-1,3a1-(epoxymethano)dibenzode,gchromen-4-yl 2-hydroxy-2-methylbutanoate |
Butyric acid, 4-ester with 1,3ab,4,7,7aa,11,11a,11ba-octahydro-1a,2a,4b,11b-tetrahydroxy-3a,8,11ab-trimethyl-2H-1,11cb-(epoxymethano)phenanthro10,1-bcpyran-5,10(3H,6abH)-dione |
Experimental Data
Glaucarubinone
| 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 | 100 | nM | 7.9 | 9 | S | N2 | 21264793 | Active |
Experimental Data Visualization
Glaucarubinone
Statistics Data
Glaucarubinone
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 7.9 | 9 | 1 | 1 |
Statistics Data Visualization
Glaucarubinone
