Dataset
Eucalyptol 400 MHz in CDCl3 NMR data .hmbc
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.d1198 |
License URL | https://creativecommons.org/publicdomain/zero/1.0/legalcode |
Source | https://nmrxiv.org/D1198 |
Version | |
Author | Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T15:25:26.047003 |
MetadataModified | 2024-09-23T09:27:16.876771 |
MetadataPublished | 2023-12-21 14:26:13 |
Field | Value |
---|---|
Measurement Technique | heteronuclear multiple bond coherence |
Measurement Variables |
|
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. |