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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL566653
CHEMBL566653
Compound Name GIBBERELLIN GA3
ChEMBL Synonyms Gibberellin Ga3
Max Phase 0
Trade Names
Molecular Formula C19H22O6

Additional synonyms for CHEMBL566653 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@]12[C@@H](O)C=C[C@@]3(OC1=O)[C@@H]4CC[C@]5(O)C[C@]4(CC5 ...
Download SMILES
Standard InChI InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20 ...
Download InChI
Standard InChI Key IXORZMNAPKEEDV-SNTJWBGVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL566653

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
346.4 346.1416 0.44 1 104.06 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.06 - -.61 -3.84 0 25 0.47

Structural Alerts

There are 3 structural alerts for CHEMBL566653. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IXORZMNAPKEEDV-SNTJWBGVSA-N
Wikipedia Gibberellic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL566653



Atlas GA3
ChEBI 95296
IBM Patent System E21C1BBBFE168A1A1A4A9020491B9314
LINCS LSM-6641
MolPort MolPort-002-507-417
Nikkaji J782.936A
PubChem 9819600
PubChem: Thomson Pharma 16148095 14778283
SureChEMBL SCHEMBL15578
ZINC ZINC000100035092

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IXORZMNAPKEEDV-SNTJWBGVSA-N spacer
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