General Information of the Compound
| Compound ID |
CP0068212
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| Compound Name |
(3alpha,5beta)-3-hydroxycholan-24-oic acid
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| Synonyms |
(3alpha,5beta)-3-hydroxycholan-24-oic acid
3-Hydroxycholan-24-oic acid
3-alpha-Hydroxy-5-beta-cholanic acid
3-alpha-Hydroxycholanic acid
3alpha-Hydroxy-5beta-cholan-24-oic acid
3alpha-Hydroxy-5beta-cholanate
3alpha-Hydroxy-5beta-cholanic acid
3alpha-Hydroxy-5beta-cholanoic acid
3alpha-Hydroxycholanic acid
434-13-9
5-beta-Cholanic acid, 3-alpha-hydroxy-
5beta-Cholanic acid-3alpha-ol
Bevacizumab + Trastuzumab
CCRIS 363
Cholan-24-oic acid, 3-hydroxy-,
LITHOCHOLIC ACID
Lithocholate
Lithocholic acid
Lithocolic acid
NCI-C03861
UNII-5QU0I8393U
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| Structure |
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| Formula |
C24H40O3
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| Molecular Weight |
376.581
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| Canonical SMILES |
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
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| InChIKey |
SMEROWZSTRWXGI-HVATVPOCSA-N
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| CAS |
434-13-9
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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: PT01286, Bile acid receptor
Protein ID: PT01335, Ephrin type-A receptor 2
Protein ID: PT02509, G-protein coupled bile acid receptor 1
Cell-based Assay
Protein ID: PT02378, Vitamin D3 receptor
Clinical Information about the Compound