Tenuifolide B
PubChem CID: 44557421
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| Compound Synonyms | TENUIFOLIDE B, CHEMBL1078157, 3-(1-methoxyicosyl)-5-methylidenefuran-2-one, 1187955-76-5 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 467.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(1-methoxyicosyl)-5-methylidenefuran-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 10.5 |
| Molecular Formula | C26H46O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TWBGKCDUZOAOPO-UHFFFAOYSA-N |
| Fcsp3 | 0.8076923076923077 |
| Logs | -6.885 |
| Rotatable Bond Count | 20.0 |
| Logd | 4.302 |
| Compound Name | Tenuifolide B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 406.345 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 406.345 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 406.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.6310362000000005 |
| Inchi | InChI=1S/C26H46O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28-3)24-22-23(2)29-26(24)27/h22,25H,2,4-21H2,1,3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCC(C1=CC(=C)OC1=O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Tenuifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all