Dihydrofurospongin-2
PubChem CID: 10381863
Connections displayed (default: 10).
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| Compound Synonyms | Dihydrofurospongin-2, CHEBI:67725, (E,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-one, Dihydrofurospongin 2, 35671-22-8, CHEMBL1802228, Q27136198, (S,E)-1,11-Bis(3-furyl)-4,8-dimethyl-3-undecen-6-one |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | DARLMVMUSMRSIS-HQCRTTESSA-N |
| Fcsp3 | 0.4761904761904761 |
| Rotatable Bond Count | 11.0 |
| Heavy Atom Count | 24.0 |
| Compound Name | Dihydrofurospongin-2 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.204 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 402.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 328.4 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (E,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Prediction Hob | 0.0 |
| Esol | -4.797735733333334 |
| Inchi | InChI=1S/C21H28O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h5,9-12,15-16,18H,3-4,6-8,13-14H2,1-2H3/b17-5+/t18-/m0/s1 |
| Smiles | C[C@@H](CCCC1=COC=C1)CC(=O)C/C(=C/CCC2=COC=C2)/C |
| Xlogp | 5.3 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C21H28O3 |
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