Record Information |
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Version | 2.0 |
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Created at | 2022-04-28 09:26:22 UTC |
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Updated at | 2022-04-28 09:26:22 UTC |
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NP-MRD ID | NP0065183 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Gomeric acid |
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Description | Gomeric acid, also known as gomerate, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Gomeric acid is found in Sideritis gomerae and Sideritis nutans. It was first documented in 2022 (PMID: 35487672). Based on a literature review a significant number of articles have been published on Gomeric acid (PMID: 35487668) (PMID: 35487667) (PMID: 35487664) (PMID: 35487659). |
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Structure | CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@](C)(CC(O)=O)CC[C@@H]21 InChI=1S/C20H34O3/c1-17(2)9-6-10-19(4)14(17)8-12-20(5)15(19)7-11-18(3,23-20)13-16(21)22/h14-15H,6-13H2,1-5H3,(H,21,22)/t14-,15+,18+,19-,20+/m1/s1 |
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Synonyms | Value | Source |
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Gomerate | Generator |
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Chemical Formula | C20H34O3 |
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Average Mass | 322.4890 Da |
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Monoisotopic Mass | 322.25079 Da |
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IUPAC Name | 2-[(3S,4aS,6aR,10aR,10bS)-3,4a,7,7,10a-pentamethyl-dodecahydro-1H-naphtho[2,1-b]pyran-3-yl]acetic acid |
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Traditional Name | [(3S,4aS,6aR,10aR,10bS)-3,4a,7,7,10a-pentamethyl-octahydro-1H-naphtho[2,1-b]pyran-3-yl]acetic acid |
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CAS Registry Number | Not Available |
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SMILES | CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@](C)(CC(O)=O)CC[C@@H]21 |
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InChI Identifier | InChI=1S/C20H34O3/c1-17(2)9-6-10-19(4)14(17)8-12-20(5)15(19)7-11-18(3,23-20)13-16(21)22/h14-15H,6-13H2,1-5H3,(H,21,22)/t14-,15+,18+,19-,20+/m1/s1 |
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InChI Key | FTDJSNVEZHDIAG-OPTDIUSFSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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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 | - Polycyclic triterpenoid
- Triterpenoid
- Naphthopyran
- Naphthalene
- Pyran
- Oxane
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Ether
- Dialkyl ether
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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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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General References | - Dong XM, Pu XJ, Zhou SZ, Li P, Luo T, Chen ZX, Chen SL, Liu L: Orphan gene PpARDT positively involved in drought tolerance potentially by enhancing ABA response in Physcomitrium (Physcomitrella) patens. Plant Sci. 2022 Jun;319:111222. doi: 10.1016/j.plantsci.2022.111222. Epub 2022 Mar 14. [PubMed:35487672 ]
- Ni L, Wang Z, Liu X, Wu S, Hua J, Liu L, Yin Y, Li H, Gu C: Genome-wide study of the GRAS gene family in Hibiscus hamabo Sieb. et Zucc and analysis of HhGRAS14-induced drought and salt stress tolerance in Arabidopsis. Plant Sci. 2022 Jun;319:111260. doi: 10.1016/j.plantsci.2022.111260. Epub 2022 Mar 21. [PubMed:35487668 ]
- Paradisone V, Navarro-Leon E, Albacete A, Ruiz JM, Esposito S, Blasco B: Improvement of the physiological response of barley plants to both Zinc deficiency and toxicity by the application of calcium silicate. Plant Sci. 2022 Jun;319:111259. doi: 10.1016/j.plantsci.2022.111259. Epub 2022 Mar 17. [PubMed:35487667 ]
- Miranda MT, Espinoza-Nunez E, Silva SF, Pereira L, Hayashi AH, Boscariol-Camargo RL, Carvalho SA, Machado EC, Ribeiro RV: Water stress signaling and hydraulic traits in three congeneric citrus species under water deficit. Plant Sci. 2022 Jun;319:111255. doi: 10.1016/j.plantsci.2022.111255. Epub 2022 Mar 16. [PubMed:35487664 ]
- Zeng H, Wu H, Wang G, Dai S, Zhu Q, Chen H, Yi K, Du L: Arabidopsis CAMTA3/SR1 is involved in drought stress tolerance and ABA signaling. Plant Sci. 2022 Jun;319:111250. doi: 10.1016/j.plantsci.2022.111250. Epub 2022 Mar 12. [PubMed:35487659 ]
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