Dataset
methyl (2S,13bS,14aS,1R,4aR)-2-hydroxy-1,2,3,4,5,8,14,13b,14a,4a-decahydrobenz o[1,2-g]indolo[2,3-a]quinolizinecarboxylate
Chemical Info
InChI | InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 |
---|---|
SMILES | COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O |
InChI Key | BLGXFZZNTVWLAY-SCYLSFHTSA-N |
Molecular Formula | C21H26N2O3 |
Exact Mass | 354.194 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00930 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:28:39.995182 |
MetadataModified | 2024-01-11T22:28:40.152396 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
102 | Guide to Pharmacology |
J9.366A | Nikkaji |
MCULE-1043513122 | Mcule |
SCHEMBL33954 | SureChEMBL |
60026147 | NMRShiftDB |
PD009520 | ProbesDrugs |
yohimbine | Atlas |
2Y49VWD90Q | FDA SRS |
14754428 | PubChem: Thomson Pharma |
146-48-5 | ACToR |
PA451946 | PharmGKB |
14852160 | PubChem: Thomson Pharma |
LSM-2779 | LINCS |
3659 | DrugCentral |
ZINC000003860825 | ZINC |
ZZZSHG | CCDC |
50013515 | BindingDB |
50203564 | BindingDB |
YOHIMBINE | DailyMed |
YOHIMBINE | rxnorm |
YOHIMBINE HYDROCHLORIDE | rxnorm |
YOCON | rxnorm |
YOHIMBINE | clinicaltrials |
YOHIMBINE HYDROCHLORIDE | clinicaltrials |
HY-12715 | MedChemExpress |
DTXSID9040130 | EPA CompTox Dashboard |
MTBLC10093 | Metabolights |
95376 | Brenda |
CB4129677 | ChemicalBook |
yohimbine | DailyMed |
HMDB0015464 | Human Metabolome Database |
8969 | PubChem |
CHEMBL15245 | ChEMBL |
10093 | ChEBI |
DB01392 | DrugBank |
C09256 | KEGG Ligand |
1933610 | eMolecules |
The data in this table is sourced from UniChem at EBI. |