Dataset

Forskolin; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00540 contains the MS2 mass spectrum of Forskolin with the InChIkey OHCQJHSOBUTRHG-KGGHGJDLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1
SMILES CC(=O)O[C@@H]([C@@H](O)1)[C@@](C)(O3)[C@](O)(C(=O)C[C@](C)(C=C)3)[C@@](C)([C@@H](O)2)[C@]([H])(C(C)(C)CC2)1
InChI Key OHCQJHSOBUTRHG-KGGHGJDLSA-N
Molecular Formula C22H34O7
Exact Mass 410.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00540
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15080267 PubChem: Thomson Pharma
    47936 PubChem
    PD007842 ProbesDrugs
    colforsin Atlas
    forskolin Atlas
    14855314 PubChem: Thomson Pharma
    LSM-2193 LINCS
    66575-29-9 ACToR
    66428-89-5 ACToR
    forskolin Selleck
    1F7A44V6OU FDA SRS
    30154577 eMolecules
    513222 eMolecules
    29549118 eMolecules
    PA146096022 PharmGKB
    ZINC000003977779 ZINC
    CB0167677 ChemicalBook
    MTBLC42471 Metabolights
    SCHEMBL4928 SureChEMBL
    20177307 NMRShiftDB
    DB02587 DrugBank
    12013584 PubChem: Drugs of the Future
    CHEMBL52606 ChEMBL
    FOK PDBe
    42471 ChEBI
    C09076 KEGG Ligand
    COLFORSIN clinicaltrials
    FORSKOLIN clinicaltrials
    HY-15371 MedChemExpress
    DTXSID8040484 EPA CompTox Dashboard
    50010261 BindingDB
    5190 Guide to Pharmacology
    J22.273I Nikkaji
    FRSKLN CCDC
    LMPR0104030004 LipidMaps
    The data in this table is sourced from UniChem at EBI.