Subamolide C
PubChem CID: 16104908
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| Compound Synonyms | SUBAMOLIDE C, 3-(1-methoxypentadecyl)-5-methylidenefuran-2-one, CHEMBL219971, 925213-55-4 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 398.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(1-methoxypentadecyl)-5-methylidenefuran-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.8 |
| Molecular Formula | C21H36O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MRQIXVNNGPNWED-UHFFFAOYSA-N |
| Fcsp3 | 0.7619047619047619 |
| Logs | -6.285 |
| Rotatable Bond Count | 15.0 |
| Logd | 4.038 |
| Compound Name | Subamolide C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.266 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 336.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.818899200000001 |
| Inchi | InChI=1S/C21H36O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23-3)19-17-18(2)24-21(19)22/h17,20H,2,4-16H2,1,3H3 |
| Smiles | CCCCCCCCCCCCCCC(C1=CC(=C)OC1=O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Subavenium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all