General Information of the Compound
| Compound ID |
CP0040077
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| Compound Name |
(3beta)-3-hydroxyurs-12-en-28-oic acid
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| Synonyms |
(3beta)-3-Hydroxyurs-12-en-28-oic acid
.beta.-Ursolic acid
3beta-Hydroxy-12-ursen-28-ic acid
3beta-Hydroxyurs-12-en-28-oic acid
77-52-1
AI3-03109
CCRIS 7123
CHEBI:9908
CHEMBL169
EINECS 201-034-0
HNMR
Malol
Merotaine
NSC 167406
NSC 4060
NSC-4060
NSC4060
P3M2575F3F
Prunol
UNII-P3M2575F3F
URSOLIC ACID
Urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-
Ursolic acid
Urson
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| Structure |
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| Formula |
C30H48O3
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| Molecular Weight |
456.711
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| Canonical SMILES |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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| InChI |
InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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| InChIKey |
WCGUUGGRBIKTOS-GPOJBZKASA-N
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| CAS |
77-52-1
209545-05-1
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT00252, Env polyprotein
Protein ID: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT05904, Ghrelin O-acyltransferase
Protein ID: PT02791, Hypoxia-inducible factor 1-alpha
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT00901, Prostaglandin G/H synthase 2
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000273 | Hep 3B2.1-7 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 23800 nM
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LI
LO
TS
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Clinical Information about the Compound
Drug 1 ( URSOLIC ACID )
| Drug Name | URSOLIC ACID | ||
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