MetaADEDB 2.0 @ LMMD
ursolic acid
(WCGUUGGRBIKTOS-GPOJBZKASA-N)
Structure
SMILES
C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O
Molecular Formula:
C30H48O3
Molecular Weight:
456.700
Log P:
7.0895
Hydrogen Bond Acceptor:
3
Hydrogen Bond Donor:
2
TPSA:
57.53
CAS Number(s):
77-52-1
Synonym(s)
1.
ursolic acid
2.
3-epi-ursolic acid
3.
Merotaine
4.
ursolic acid, (3beta)-isomer, 2-(14)C-labeled
5.
ursolic acid, (3beta)-isomer, monopotassium salt
External Link(s)
MeSHC005466
PubChem Compound64945
BindingDB50148911
ChEBI9908
CHEMBLCHEMBL169
DrugBankDB15588
KEGGcpd:C08988
Therapeutic Target DatabaseD07LUJ
ZINC3978827
Adverse Drug Event(s)
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