Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-06 19:06:54 UTC |
---|
Updated at | 2022-09-06 19:06:54 UTC |
---|
NP-MRD ID | NP0236263 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 2-[(2r,3r,3ar,6s,7r,9br)-6-(2-carboxyethyl)-2-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-3a,6,9b-trimethyl-1h,2h,3h,4h,7h,8h-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid |
---|
Description | Dimethyl poricoate F belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. It was first documented in 2022 (PMID: 36060894). Based on a literature review a significant number of articles have been published on Dimethyl poricoate F (PMID: 35988387) (PMID: 35988386) (PMID: 35987375) (PMID: 35967033) (PMID: 35946342) (PMID: 35936464). |
---|
Structure | CC(C)C(=C)CCC([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(=C)CO)[C@](C)(CCC(O)=O)C3=CC[C@]12C)C(O)=O InChI=1S/C31H46O6/c1-18(2)19(3)8-9-21(28(36)37)27-25(33)16-31(7)24-11-10-22(20(4)17-32)29(5,14-13-26(34)35)23(24)12-15-30(27,31)6/h11-12,18,21-22,25,27,32-33H,3-4,8-10,13-17H2,1-2,5-7H3,(H,34,35)(H,36,37)/t21?,22-,25+,27-,29-,30+,31-/m0/s1 |
---|
Synonyms | Value | Source |
---|
Dimethyl poricoic acid F | Generator |
|
---|
Chemical Formula | C31H46O6 |
---|
Average Mass | 514.7030 Da |
---|
Monoisotopic Mass | 514.32944 Da |
---|
IUPAC Name | 2-[(2R,3R,3aR,6S,7R,9bR)-6-(2-carboxyethyl)-2-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-3a,6,9b-trimethyl-1H,2H,3H,3aH,4H,6H,7H,8H,9bH-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid |
---|
Traditional Name | 2-[(2R,3R,3aR,6S,7R,9bR)-6-(2-carboxyethyl)-2-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-3a,6,9b-trimethyl-1H,2H,3H,4H,7H,8H-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid |
---|
CAS Registry Number | Not Available |
---|
SMILES | CC(C)C(=C)CCC([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(=C)CO)[C@](C)(CCC(O)=O)C3=CC[C@]12C)C(O)=O |
---|
InChI Identifier | InChI=1S/C31H46O6/c1-18(2)19(3)8-9-21(28(36)37)27-25(33)16-31(7)24-11-10-22(20(4)17-32)29(5,14-13-26(34)35)23(24)12-15-30(27,31)6/h11-12,18,21-22,25,27,32-33H,3-4,8-10,13-17H2,1-2,5-7H3,(H,34,35)(H,36,37)/t21?,22-,25+,27-,29-,30+,31-/m0/s1 |
---|
InChI Key | RBBCMULWYWYPHY-KGXQETAESA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | Not Available |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Triterpenoids |
---|
Direct Parent | Triterpenoids |
---|
Alternative Parents | |
---|
Substituents | - Triterpenoid
- Medium-chain fatty acid
- Branched fatty acid
- Methyl-branched fatty acid
- Hydroxy fatty acid
- Dicarboxylic acid or derivatives
- Fatty acyl
- Fatty acid
- Unsaturated fatty acid
- Cyclic alcohol
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Carbonyl group
- Organic oxygen compound
- Primary alcohol
- Organooxygen compound
- Aliphatic homopolycyclic compound
|
---|
Molecular Framework | Aliphatic homopolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|
General References | - Nishikawa A, Senba H, Kimura Y, Yokota S, Doi M, Takenaka S: Isolation and characterization of a salt-tolerant gamma-glutamyl transpeptidase from xerophilic Aspergillus sydowii. 3 Biotech. 2022 Oct;12(10):253. doi: 10.1007/s13205-022-03259-3. Epub 2022 Sep 1. [PubMed:36060894 ]
- Liang L, Wu X, Shi C, Wen H, Wu S, Chen J, Huang C, Wang Y, Liu Y: Synthesis and characterization of polypyridine ruthenium(II) complexes and anticancer efficacy studies in vivo and in vitro. J Inorg Biochem. 2022 Nov;236:111963. doi: 10.1016/j.jinorgbio.2022.111963. Epub 2022 Aug 12. [PubMed:35988387 ]
- Wang R, Wei M, Wang X, Chen Y, Xiong Y, Cheng J, Tan Y, Liao X, Wang J: Synthesis of ruthenium polypyridine complexes with benzyloxyl groups and their antibacterial activities against Staphylococcus aureus. J Inorg Biochem. 2022 Nov;236:111954. doi: 10.1016/j.jinorgbio.2022.111954. Epub 2022 Aug 12. [PubMed:35988386 ]
- Liang D, Yu F, Zhu K, Zhang Z, Tang J, Xie Q, Liu J, Xie F: Quaternary ammonium salts targeted regulate the surface charge distribution of activated carbon: A study of their binding modes and modification effects. Environ Res. 2022 Nov;214(Pt 4):114103. doi: 10.1016/j.envres.2022.114103. Epub 2022 Aug 18. [PubMed:35987375 ]
- Hu T, Zhu F, Xiang L, Shen J, Xie Y, Aisa HA: Practical and Highly Efficient Synthesis of Remdesivir from GS-441524. ACS Omega. 2022 Jul 27;7(31):27516-27522. doi: 10.1021/acsomega.2c02835. eCollection 2022 Aug 9. [PubMed:35967033 ]
- ElFar OA, Billa N, Lim HR, Chew KW, Cheah WY, Munawaroh HSH, Balakrishnan D, Show PL: Advances in delivery methods of Arthrospira platensis (spirulina) for enhanced therapeutic outcomes. Bioengineered. 2022 Jun;13(6):14681-14718. doi: 10.1080/21655979.2022.2100863. [PubMed:35946342 ]
- Chen YC, Reddy KSK, Lin YA, Wang MW, Lin CH: Tetrafluorophenylene-Containing Vinylbenzyl Ether-Terminated Oligo(2,6-dimethyl-1,4-phenylene ether) with Better Thermal, Dielectric, and Flame-Retardant Properties for Application in High-Frequency Communication. ACS Omega. 2022 Jul 22;7(30):26396-26406. doi: 10.1021/acsomega.2c02067. eCollection 2022 Aug 2. [PubMed:35936464 ]
- Cui T, Lin S, Wang Z, Fu P, Wang C, Zhu W: Cytotoxic Indolocarbazoles From a Marine-Derived Streptomyces Sp. OUCMDZ-5380. Front Microbiol. 2022 Jul 12;13:957473. doi: 10.3389/fmicb.2022.957473. eCollection 2022. [PubMed:35903465 ]
- Cihan-Ustundag G, Acar C, Naesens L, Erkose-Genc G, Satana D: Synthesis of new N-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)pyridine-3-carboxamide derivatives and evaluation of their anti-influenza virus and antitubercular activities. Arch Pharm (Weinheim). 2022 Oct;355(10):e2200224. doi: 10.1002/ardp.202200224. Epub 2022 Jul 18. [PubMed:35849096 ]
- Ngoc TD, Thi Ha MV, Le TN, Thi HV, Anh Nguyen TV, Mechler A, Hoa NT, Vo QV: A Potent Antioxidant Sesquiterpene, Abelsaginol, from Abelmoschus sagittifolius: Experimental and Theoretical Insights. ACS Omega. 2022 Jul 1;7(27):24004-24011. doi: 10.1021/acsomega.2c02974. eCollection 2022 Jul 12. [PubMed:35847298 ]
- LOTUS database [Link]
|
---|