Compound Summary
Compound Information
Inokosterone
Compound Name: | Inokosterone |
Compound CID: | 441828 |
Synonyms: | Inokosterone 25R-Inokosterone 19682-38-3 15130-85-5 (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-(2R,3R,6R)-2,3,7-trihydroxy-6-methylheptan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopentaaphenanthren-6-one More... |
Iupac Name: | (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,6R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one |
InChI: | InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15-,16+,18+,20-,21+,22+,23-,24-,25-,26-,27-/m1/s1 |
InChIKey: | JQNVCUBPURTQPQ-GYVHUXHASA-N |
Canonical Smiles: | CC(CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O)CO |
Isomeric Smiles: | C[C@H](CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O)CO |
Molecular Weight: | 480.6 |
Molecular Formula: | C27H44O7 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Inokosterone
Molecular Weight: | 480.6 |
Molecular Formula: | C27H44O7 |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 34 |
Complexity: | 843 |
Synonyms
Inokosterone
| Inokosterone | Inokosterone |
|---|---|
Inokosterone |
25R-Inokosterone |
19682-38-3 |
15130-85-5 |
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-(2R,3R,6R)-2,3,7-trihydroxy-6-methylheptan-2-yl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopentaaphenanthren-6-one |
C08819 |
(22R,25R)-2beta,3beta,14,20,22,26-hexahydroxy-5beta-cholest-7-en-6-one |
(25R)-Inokosterone |
19595-18-7 |
SCHEMBL143421 |
CHEBI:27495 |
DTXSID40164756 |
HY-N4131 |
ZINC8234185 |
LMST01010194 |
AKOS015896810 |
CS-0032159 |
Q27103165 |
5-beta-Cholest-7-en-6-one, 2-beta,3-beta,14,20,22,26-hexahydroxy-, (22R,25RS)- |
Cholest-7-en-6-one, 2,3,14,20,22,26-hexahydroxy-, (2-beta,3-beta,5-beta,22R)- |
Experimental Data
Inokosterone
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Saccharomyces cerevisiae | 3 | umol/L | 6.4 | 8.5 | 0.33 | S | K6001 | 35204097 | Active | ||||
| Saccharomyces cerevisiae | 0.1 | umol/L | 6.4 | 7.7 | 0.2 | NS | K6001 | 35204097 | Inactive | ||||
| Saccharomyces cerevisiae | 10 | umol/L | 6.4 | 7.7 | 0.2 | NS | K6001 | 35204097 | Inactive | ||||
| Saccharomyces cerevisiae | 0.3 | umol/L | 6.4 | 8 | 0.25 | S | K6001 | 35204097 | Active | ||||
| Saccharomyces cerevisiae | 1 | umol/L | 6.4 | 10.1 | 0.58 | S | K6001 | 35204097 | Active |
Experimental Data Visualization
Inokosterone
Statistics Data
Inokosterone
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Saccharomyces cerevisiae | 0.58 | 1 | 5 |
Statistics Data Visualization
Inokosterone
