ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL447346
CHEMBL447346
Compound Name CORYMBONE A
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H38O7

Additional synonyms for CHEMBL447346 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(O)c(C(CCc2ccccc2)C3=C(O)C(C)(C)C(=O)C(C)(C)C3=O)c(O)c(C ...
Download SMILES
Standard InChI InChI=1S/C35H38O7/c1-20-28(37)25(30(39)27(29(20)38)24(36)19- ...
Download InChI
Standard InChI Key OHJVUGQZZLSHQV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL447346

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
570.7 570.2618 7.3 9 132.13 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 2 7 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.5 - 6.62 3.38 3 42 0.16

Structural Alerts

There are 4 structural alerts for CHEMBL447346. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OHJVUGQZZLSHQV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL447346



Nikkaji J2.604.774I
PubChem 24878685
PubChem: Thomson Pharma 50134097

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