Compound Summary
Tomatidine
Compound Information
Tomatidine
Compound Name: | Tomatidine |
Compound CID: | 65576 |
Synonyms: | Tomatidine 77-59-8 Tomatidin UNII-2B73S48786 (3beta,5alpha,22beta,25S)-Spirosolan-3-ol More... |
Iupac Name: | (1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-ol |
InChI: | InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
InChIKey: | XYNPYHXGMWJBLV-VXPJTDKGSA-N |
Canonical Smiles: | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)NC1 |
Isomeric Smiles: | C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1 |
Molecular Weight: | 415.7 |
Molecular Formula: | C27H45NO2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Tomatidine
Molecular Weight: | 415.7 |
Molecular Formula: | C27H45NO2 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 30 |
Complexity: | 696 |
Synonyms
Tomatidine
| Tomatidine | Tomatidine |
|---|---|
Tomatidine |
77-59-8 |
Tomatidin |
UNII-2B73S48786 |
(3beta,5alpha,22beta,25S)-Spirosolan-3-ol |
CHEBI:9629 |
5alpha-Tomatidan-3beta-ol |
(22S,25S)-5alpha-spirosolan-3beta-ol |
2B73S48786 |
SMR001233234 |
EINECS 201-040-3 |
NSC 27592 |
NSC 226903 |
5alpha-Tomatidan-3beta-ol (8CI) |
SR-05000002324 |
(3beta,5alpha,25S)-spirosolan-3-ol |
Prestwick_473 |
Prestwick3_000573 |
Spirosolan-3-ol, (3beta,5alpha,22beta,25S)- |
BSPBio_000386 |
MLS002153880 |
MLS002222215 |
SCHEMBL335093 |
BPBio1_000426 |
CHEMBL2165711 |
DTXSID0037102 |
HMS2096D08 |
HY-N2149 |
ZINC8143640 |
8282AH |
MFCD00075644 |
CCG-208279 |
CS-5821 |
SMP1_000126 |
NCGC00179576-01 |
AC-34219 |
SR-05000002324-3 |
Q27108452 |
Spirosolan-3-ol, (3-beta,5-alpha,22-beta,25S)- |
Experimental Data
Tomatidine
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 10.000000000000000 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 25.000000000000000 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 50.000000000000000 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 25.000000000000000 | umol/L | 7.000000000000000 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 25.000000000000000 | umol/L | 7.000000000000000 | S | N2 | 28397803 | Active |
Experimental Data Visualization
Tomatidine
Statistics Data
Tomatidine
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 7.000000000000000 | 2 | 5 |
Statistics Data Visualization
Tomatidine
