General Information of the Compound
| Compound ID |
CP0039971
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| Compound Name |
NSC-114945
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| Synonyms |
(3-beta)-3-Hydroxyolean-12-en-28-oic acid
3-beta-Hydroxyolean-12-en-28-oic acid
3beta-Hydroxyolean-12-en-28-oic acid
508-02-1
6SMK8R7TGJ
Astrantiagenin C
CCRIS 6493
CHEBI:37659
Caryophyllin
EINECS 208-081-6
Giganteumgenin C
MFCD00064914
NSC-114945
NSC114945
OLEANOLIC ACID
OLEANOLIC_ACID
Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-
Oleanic acid
UNII-6SMK8R7TGJ
Virgaureagenin B
oleonolic acid
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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 |
CC1(C)CC[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]2C1)C(O)=O
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| InChI |
InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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| InChIKey |
MIJYXULNPSFWEK-GTOFXWBISA-N
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| CAS |
508-02-1
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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: PT00252, Env polyprotein
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT06109, Geminin
Protein ID: PT00901, Prostaglandin G/H synthase 2
Protein ID: PT01503, Signal transducer and activator of transcription 3
Protein ID: PT01039, Tissue factor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000007 | HT-29 | Homo sapiens (Human) | 1 |
| 1 |
LD50 = 180000 nM
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TI
LI
LO
TS
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Clinical Information about the Compound