Dataset
![molecular Image]()
Eucalyptol 400 MHz in CDCl3 NMR data .
Chemical Info
| InChI | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 |
|---|---|
| SMILES | CC12CCC(CC1)C(C)(C)O2 |
| InChI Key | WEEGYLXZBRQIMU-UHFFFAOYSA-N |
| Molecular Formula | C10H18O |
| Exact Mass | 154.250 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p33.s218.d1207 |
| License URL | https://creativecommons.org/publicdomain/zero/1.0/legalcode |
| Source | https://nmrxiv.org/D1207 |
| Version | |
| Author | Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF. |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-04-22T15:26:43.535556 |
| MetadataModified | 2024-09-23T09:27:24.326831 |
| MetadataPublished | 2023-12-21 14:26:13 |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL485259 | ChEMBL |
| C09844 | KEGG Ligand |
| 2464 | Guide to Pharmacology |
| 2758 | PubChem |
| PD002333 | ProbesDrugs |
| 15120221 | PubChem: Thomson Pharma |
| 10458-11-4 | ACToR |
| SCHEMBL19622 | SureChEMBL |
| 470-82-6 | ACToR |
| eucalyptol | DailyMed |
| CB9727874 | ChemicalBook |
| 58275 | BindingDB |
| J3.281F | Nikkaji |
| 53430 | BindingDB |
| MolPort-003-929-343 | MolPort |
| 60001993 | NMRShiftDB |
| ZINC000000967566 | ZINC |
| EUCALYPTOL | DailyMed |
| 4259 | DrugCentral |
| LMPR0102090019 | LipidMaps |
| EUCALYPTOL | rxnorm |
| EUCALYPTOL | clinicaltrials |
| CINEOLE | clinicaltrials |
| 239929 | Brenda |
| 50459887 | BindingDB |
| DTXSID4020616 | EPA CompTox Dashboard |
| The data in this table is sourced from UniChem at EBI. | |