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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL444299
CHEMBL444299
Compound Name FLAVANE
ChEMBL Synonyms Flavan | Flavane
Max Phase 0
Trade Names
Molecular Formula C15H14O

Additional synonyms for CHEMBL444299 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1Cc2ccccc2OC1c3ccccc3
Standard InChI InChI=1S/C15H14O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)1 ...
Download InChI
Standard InChI Key QOLIPNRNLBQTAU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL444299

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
210.3 210.1045 3.75 1 9.23 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.09 4.09 2 16 0.7

Structural Alerts

There are no structural alerts for CHEMBL444299

Compound Cross References

ChemSpider ChemSpider:QOLIPNRNLBQTAU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL444299



ACToR 494-12-2 51644-96-3
Brenda 16286 135823 46177
ChEBI 38691
eMolecules 6208402
IBM Patent System 6F96F195BE72B14251E449D751FFCA1C
Mcule MCULE-8270473394
MolPort MolPort-002-834-815
Nikkaji J122.398D
PubChem 94156
PubChem: Thomson Pharma 16021499
SureChEMBL SCHEMBL123287

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