| Record Information |
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| Version | 2.0 |
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| Created at | 2022-03-17 20:57:24 UTC |
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| Updated at | 2022-03-17 20:57:24 UTC |
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| NP-MRD ID | NP0048497 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Ganosporelactone B |
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| Description | 7-Epizucchini factor A belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Zucchini Factor A is a triterpenoid ester (esterified with p-aminobenzoic acid) that can be isolated from the seeds of zucchini, water melons, pumpkins and cucumbers. In some cases these multiflorane esters constitute up to 0.2% Of the chemical constituents of these seeds. 7-Epizucchini factor A is a moderately basic compound (based on its pKa). Outside of the human body, 7-Epizucchini factor A has been detected, but not quantified in, fruits. This could make 7-epizucchini factor a a potential biomarker for the consumption of these foods. Zucchini factor A is a constituent of Cucurbita maxima and Cucurbita pepo. |
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| Structure | CC1CC2(CC(C)C(=O)O2)C2C1C1(C)C(O)C(=O)C3=C(C(O)CC4C(C)(C)C(O)CCC34C)C1(C)C2=O InChI=1S/C30H42O7/c1-13-11-30(12-14(2)25(36)37-30)21-18(13)28(6)24(35)22(33)20-19(29(28,7)23(21)34)15(31)10-16-26(3,4)17(32)8-9-27(16,20)5/h13-18,21,24,31-32,35H,8-12H2,1-7H3 |
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| Synonyms | | Value | Source |
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| Ganosporelactone b | MeSH |
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| Chemical Formula | C30H42O7 |
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| Average Mass | 514.6503 Da |
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| Monoisotopic Mass | 514.29305 Da |
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| IUPAC Name | 10',16',20'-trihydroxy-2',4,7',9',13',17',17'-heptamethylspiro[oxolane-2,5'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-1'(12')-ene-3',5,11'-trione |
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| Traditional Name | 10',16',20'-trihydroxy-2',4,7',9',13',17',17'-heptamethylspiro[oxolane-2,5'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-1'(12')-ene-3',5,11'-trione |
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| CAS Registry Number | 138008-05-6 |
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| SMILES | CC1CC2(CC(C)C(=O)O2)C2C1C1(C)C(O)C(=O)C3=C(C(O)CC4C(C)(C)C(O)CCC34C)C1(C)C2=O |
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| InChI Identifier | InChI=1S/C30H42O7/c1-13-11-30(12-14(2)25(36)37-30)21-18(13)28(6)24(35)22(33)20-19(29(28,7)23(21)34)15(31)10-16-26(3,4)17(32)8-9-27(16,20)5/h13-18,21,24,31-32,35H,8-12H2,1-7H3 |
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| InChI Key | FLFQDUNKJSXJOT-UHFFFAOYSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | | Species Name | Source | Reference |
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| Agaricus bisporus | FooDB | - Shmuel Yannai Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients. Chap...
| | Pleurotus ostreatus | FooDB | - Shmuel Yannai Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients. Chap...
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Benzoic acids and derivatives |
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| Direct Parent | Benzoic acid esters |
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| Alternative Parents | |
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| Substituents | - Aminobenzoic acid or derivatives
- Benzoate ester
- Benzoyl
- Aniline or substituted anilines
- Dicarboxylic acid or derivatives
- Amino acid or derivatives
- Secondary alcohol
- Carboxylic acid ester
- Carboxylic acid derivative
- Alcohol
- Organonitrogen compound
- Organooxygen compound
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Amine
- Aromatic homopolycyclic compound
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| Molecular Framework | Aromatic homopolycyclic 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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