General Information of the Compound
| Compound ID |
CP0136048
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| Compound Name |
2,3,6,23-tetrahydroxyurs-12-en-28-oic acid
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| Synonyms |
(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
2,3,23-trihydroxyurs-12-en-28-oic acid
464-92-6
9PA5A687X5
A)-2,3,23-trihydroxyurs-12-en-28-oic acid
AC1L3O2W
AC1Q5QHS
ASIATIC ACID
Asiantic acid
Asiatic acid
Asiatic acid, 97%
Asiatic-acid
CHEBI:2873
CHEMBL404313
Dammarolic acid
HSDB 7662
JXSVIVRDWWRQRT-UYDOISQJSA-N
MFCD00238541
NSC 166063
NSC-166063
UNII-9PA5A687X5
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| Structure |
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| Formula |
C30H48O5
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| Molecular Weight |
488.709
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| Canonical SMILES |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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| InChI |
InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
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| InChIKey |
JXSVIVRDWWRQRT-UYDOISQJSA-N
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| CAS |
464-92-6
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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: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT00901, Prostaglandin G/H synthase 2
Clinical Information about the Compound