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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL472646
CHEMBL472646
Compound Name MORONIC ACID
ChEMBL Synonyms Moronicacid | Moronic Acid
Max Phase 0
Trade Names
Molecular Formula C30H46O3

Additional synonyms for CHEMBL472646 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C) ...
Download SMILES
Standard InChI InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20 ...
Download InChI
Standard InChI Key UMYJVVZWBKIXQQ-QALSDZMNSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL472646

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
454.7 454.3447 6.55 1 54.37 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 1 3 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.59 - 7.69 4.92 0 33 0.46

Structural Alerts

There are 2 structural alerts for CHEMBL472646. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UMYJVVZWBKIXQQ-QALSDZMNSA-N
PubChem SID: 22401405 SID: 26725278
Wikipedia Moronic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL472646



ACToR 6713-27-5
BindingDB 54263
ChEBI 30815
IBM Patent System F3ECCF8F28E6ACBE960358C7D5C05F3C
LINCS LSM-27731
LipidMaps LMPR0106150002
Metabolights MTBLC30815
MolPort MolPort-028-754-125
Nikkaji J15.954I
PubChem 489941
PubChem: Thomson Pharma 84979435 14906714
SureChEMBL SCHEMBL324972
ZINC ZINC000008829452

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