| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:54:57 UTC |
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| Update Date | 2020-04-22 15:10:54 UTC |
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| BMDB ID | BMDB0002388 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Boswellic acid |
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| Description | Boswellic acid, also known as boswellate, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review a significant number of articles have been published on Boswellic acid. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Boswellate | Generator | | Beta-Boswellic acid | HMDB | | b-Boswellate | HMDB | | b-Boswellic acid | HMDB | | beta-Boswellate | HMDB | | Β-boswellate | HMDB | | Β-boswellic acid | HMDB | | (3alpha,4beta)-3-Hydroxy-urs-12-en-23-Oate | HMDB | | (3alpha,4beta)-3-Hydroxy-urs-12-en-23-Oic acid | HMDB | | Boswellic acid | MeSH |
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| Chemical Formula | C30H48O3 |
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| Average Molecular Weight | 456.7003 |
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| Monoisotopic Molecular Weight | 456.360345402 |
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| IUPAC Name | (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-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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| Traditional Name | boswellic acid |
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| CAS Registry Number | 631-69-6 |
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| SMILES | [H][C@@]12[C@@H](C)[C@H](C)CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)[C@](C)(C(O)=O)[C@]3([H])CC[C@@]12C |
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| InChI Identifier | InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1 |
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| InChI Key | NBGQZFQREPIKMG-PONOSELZSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Triterpenoids |
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| Direct Parent | Triterpenoids |
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| Alternative Parents | |
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| Substituents | - Triterpenoid
- 15-hydroxysteroid
- Hydroxysteroid
- Steroid
- Beta-hydroxy acid
- Hydroxy acid
- Cyclic alcohol
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Alcohol
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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