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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL201515
CHEMBL201515
Compound Name MASLINIC ACID
ChEMBL Synonyms Maslinic Acid | Sodium Maslinate
Max Phase 0
Trade Names
Molecular Formula C30H48O4

Additional synonyms for CHEMBL201515 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H ...
Download SMILES
Standard InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19 ...
Download InChI
Standard InChI Key MDZKJHQSJHYOHJ-LLICELPBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL201515

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
472.7 472.3553 5.48 1 77.76 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 1 4 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.63 - 6.96 4.23 0 34 0.44

Structural Alerts

There are 1 structural alerts for CHEMBL201515. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MDZKJHQSJHYOHJ-LLICELPBSA-N
Wikipedia Maslinic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL201515



ACToR 4373-41-5
BindingDB 50175892
ChEBI 66682
eMolecules 36500127
FDA SRS E233J88OHQ
Human Metabolome Database HMDB0002392
IBM Patent System E59816AA9E3054B2B9380B767B151B97
KEGG Ligand C16939
LipidMaps LMPR0106180014
Metabolights MTBLC66682
MolPort MolPort-021-783-255
Nikkaji J22.580K
PubChem 73659
PubChem: Drugs of the Future 56310591
PubChem: Thomson Pharma 16895167 14809698
SureChEMBL SCHEMBL570425
ZINC ZINC000004273446

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