General Information of the Compound
| Compound ID |
CP0168524
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| Compound Name |
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetoxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
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| Synonyms |
3-Acetyl-11-keto-
3-O-Acetyl-11-keto-beta-Boswellic Acid
3-acetyl-11-keto-beta-boswellic acid
3alpha-acetoxy-11-keto-beta-boswellic acid
67416-61-9
AKBA
AKBA cpd
AKbetaBA
Acetyl-11-keto--boswellic acid
Acetyl-11-keto-b-boswellic acid
Acetyl-11-keto-beta-Boswellic Acid, Boswellia serrata
Acetyl-11-keto-beta-boswellic acid
BS16QT99Q1
CHEMBL237111
Curator_000001
HMMGKOVEOFBCAU-BCDBGHSCSA-N
MolPort-020-005-785
UNII-BS16QT99Q1
acetyl-11-ketoboswellic acid
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| Structure |
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| Formula |
C32H48O5
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| Molecular Weight |
512.731
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| Canonical SMILES |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
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| InChI |
InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1
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| InChIKey |
HMMGKOVEOFBCAU-BCDBGHSCSA-N
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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: PT02025, Prostaglandin E synthase
Protein ID: PT00901, Prostaglandin G/H synthase 2
Clinical Information about the Compound