ISOCEMBROL
Modify Date: 2025-09-18 14:30:50
ISOCEMBROL structure
|
Common Name | ISOCEMBROL | ||
|---|---|---|---|---|
| CAS Number | 25269-17-4 | Molecular Weight | 290.48300 | |
| Density | 0.876g/cm3 | Boiling Point | 392.69ºC at 760 mmHg | |
| Molecular Formula | C20H34O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 169.813ºC | |
Use of ISOCEMBROLThunbergol (Isocembrol) (Compound 17) is a potent TNF-α inhibitor with an IC50 of 7.2 μM[1]. |
| Name | (1R,2E,4S,7E,11E)-4-Isopropyl-1,7,11-trimethyl-2,7,11-cyclotetrad ecatrien-1-ol |
|---|---|
| Synonym | More Synonyms |
| Description | Thunbergol (Isocembrol) (Compound 17) is a potent TNF-α inhibitor with an IC50 of 7.2 μM[1]. |
|---|---|
| Related Catalog | |
| Target |
TNF-α:7.2 μM (IC50) |
| References |
| Density | 0.876g/cm3 |
|---|---|
| Boiling Point | 392.69ºC at 760 mmHg |
| Molecular Formula | C20H34O |
| Molecular Weight | 290.48300 |
| Flash Point | 169.813ºC |
| Exact Mass | 290.26100 |
| PSA | 20.23000 |
| LogP | 5.81260 |
| Vapour Pressure | 0mmHg at 25°C |
| Index of Refraction | 1.472 |
| InChIKey | YAPXSYXFLHDPCK-KKOIAVJUSA-N |
| SMILES | CC1=CCCC(C)(O)C=CC(C(C)C)CCC(C)=CCC1 |
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~%
ISOCEMBROL CAS#:25269-17-4 |
| Literature: Carmely, Shmuel; Groweiss, Amiram; Kashman, Yoel Journal of Organic Chemistry, 1981 , vol. 46, # 21 p. 4279 - 4284 |
| Precursor 1 | |
|---|---|
| DownStream 0 | |
| 1H-3a,7-Methanoazulen-5(4H)-one,hexahydro-3,6,8,8-tetramethyl-,(3R,3aR,6S,7S,8aS) |
| CEDRALON |
| isocedranone |
| Cedralone |
| 3,6,8,8-Tetramethylhexahydro-1H-3a,7-methanoazulene-5(4H)-one |
| (3R-(3alpha,3Abeta,6alpha,7beta,8aalpha))-hexahydro-3,6,8,8-tetramethyl-1H-3A,7-methanoazulen-5(4H)-one |
| 2-Isocedranone |
| Cedran-9-one |
| 9-Cedranone |
| Isocembrol (4R) |