Record Information |
---|
Version | 1.0 |
---|
Created at | 2021-01-05 19:07:31 UTC |
---|
Updated at | 2021-07-15 17:03:31 UTC |
---|
NP-MRD ID | NP0009535 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Camphoratin G |
---|
Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
---|
Description | Camphoratin G belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group. Camphoratin G is found in Taiwanofungus camphoratus. It was first documented in 2010 (PMID: 21028898). Based on a literature review very few articles have been published on Camphoratin G (PMID: 28506899) (PMID: 33951534). |
---|
Structure | [H]OC(=O)[C@@]([H])(C(=C([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])C3=C(C(=O)C([H])([H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)[C@@]([H])(C([H])([H])[H])[C@]1([H])C([H])([H])[C@@]3([H])O[H])C([H])([H])[H] InChI=1S/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21,23,31H,1,7-14H2,2-6H3,(H,33,34)/t16-,17-,18+,19-,20+,21+,23-,28+,29-/m1/s1 |
---|
Synonyms | Value | Source |
---|
(6R)-6-[(2S,6S,7S,9R,11R,14R,15R)-9-Hydroxy-2,6,15-trimethyl-5,17-dioxotetracyclo[8.7.0.0,.0,]heptadec-1(10)-en-14-yl]-2-methyl-3-methylideneheptanoate | Generator |
|
---|
Chemical Formula | C29H42O5 |
---|
Average Mass | 470.6500 Da |
---|
Monoisotopic Mass | 470.30322 Da |
---|
IUPAC Name | (2R,6R)-6-[(2S,6S,7S,9R,11R,14R,15R)-9-hydroxy-2,6,15-trimethyl-5,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-3-methylideneheptanoic acid |
---|
Traditional Name | (2R,6R)-6-[(2S,6S,7S,9R,11R,14R,15R)-9-hydroxy-2,6,15-trimethyl-5,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-2-methyl-3-methylideneheptanoic acid |
---|
CAS Registry Number | Not Available |
---|
SMILES | C[C@H](CCC(=C)C(C)C(O)=O)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@H]3O |
---|
InChI Identifier | InChI=1S/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21,23,31H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21+,23-,28+,29-/m1/s1 |
---|
InChI Key | TWISSXUWVGIUBP-LQIJOPIVSA-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, 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 |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Steroids and steroid derivatives |
---|
Sub Class | Bile acids, alcohols and derivatives |
---|
Direct Parent | Monohydroxy bile acids, alcohols and derivatives |
---|
Alternative Parents | |
---|
Substituents | - Ergosterol-skeleton
- Ergostane-skeleton
- Monohydroxy bile acid, alcohol, or derivatives
- Steroid acid
- 3-oxosteroid
- Hydroxysteroid
- 11-oxosteroid
- Oxosteroid
- 3-oxo-5-alpha-steroid
- 7-hydroxysteroid
- Medium-chain fatty acid
- Hydroxy fatty acid
- Cyclohexenone
- Fatty acid
- Fatty acyl
- Unsaturated fatty acid
- Secondary alcohol
- Ketone
- Cyclic ketone
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organooxygen compound
- Hydrocarbon derivative
- Alcohol
- Organic oxygen compound
- Organic oxide
- Carbonyl group
- Aliphatic homopolycyclic compound
|
---|
Molecular Framework | Aliphatic homopolycyclic compounds |
---|
External Descriptors | |
---|
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 | - Wu SJ, Leu YL, Chen CH, Chao CH, Shen DY, Chan HH, Lee EJ, Wu TS, Wang YH, Shen YC, Qian K, Bastow KF, Lee KH: Camphoratins A-J, potent cytotoxic and anti-inflammatory triterpenoids from the fruiting body of Taiwanofungus camphoratus. J Nat Prod. 2010 Nov 29;73(11):1756-62. doi: 10.1021/np1002143. Epub 2010 Oct 28. [PubMed:21028898 ]
- Li ZW, Kuang Y, Tang SN, Li K, Huang Y, Qiao X, Yu SW, Tzeng YM, Lo JY, Ye M: Hepatoprotective activities of Antrodia camphorata and its triterpenoid compounds against CCl4-induced liver injury in mice. J Ethnopharmacol. 2017 Jul 12;206:31-39. doi: 10.1016/j.jep.2017.05.020. Epub 2017 May 12. [PubMed:28506899 ]
- Cheng KC, Chen CF, Hung CC, Lam SH, Hung HY, Li YC, Chen FA, Shieh PC, Kuo PC, Wu TS: Bioactive naphthoquinones and triterpenoids from the fruiting bodies of Taiwanofungus salmoneus. Bioorg Chem. 2021 Jul;112:104939. doi: 10.1016/j.bioorg.2021.104939. Epub 2021 Apr 23. [PubMed:33951534 ]
|
---|