| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:14:14 UTC |
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| Update date | 2019-11-26 03:17:21 UTC |
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| Primary ID | FDB019267 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Physalin P |
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| Description | Physalin P belongs to the class of organic compounds known as physalins and derivatives. These are steroidal constituents of Physalis plants which possess an unusual 13,14-seco-16,24-cyclo-steroidal ring skeleton (where the bond that is normally present between the 13 and 14 positions in other steroids is broken while a new bond between positions 16 and 24 is formed). Physalin P is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| CAS Number | 149204-27-3 |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C28H30O10 |
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| IUPAC name | (1R,2S,5R,9R,14S,17R,18S,21S,24R,26S,27S)-5,14-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.2.0^{1,5}.0^{2,24}.0^{8,17}.0^{9,14}.0^{18,27}.0^{21,26}]nonacosa-11,15-diene-4,10,22,29-tetrone |
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| InChI Identifier | InChI=1S/C28H30O10/c1-22-11-17-24(3)28-19(22)27(21(32)38-28,35-12-15(22)18(30)36-17)14-6-9-25(33)8-4-5-16(29)23(25,2)13(14)7-10-26(28,34)20(31)37-24/h4-6,9,13-15,17,19,33-34H,7-8,10-12H2,1-3H3/t13?,14-,15+,17-,19-,22-,23+,24+,25+,26+,27+,28+/m1/s1 |
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| InChI Key | LDYGFZHEHXLMTL-SQFQSZJFSA-N |
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| Isomeric SMILES | [H][C@]12[C@@]34OC[C@H]5C(=O)O[C@]([H])(C[C@@]15C)[C@]1(C)OC(=O)[C@](O)(CCC5[C@@]3([H])C=C[C@@]3(O)CC=CC(=O)[C@]53C)[C@]21OC4=O |
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| Average Molecular Weight | 526.5318 |
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| Monoisotopic Molecular Weight | 526.18389718 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as physalins and derivatives. These are steroidal constituents of Physalis plants which possess an unusual 13,14-seco-16,24-cyclo-steroidal ring skeleton (where the bond that is normally present between the 13 and 14 positions in other steroids is broken while a new bond between positions 16 and 24 is formed). |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Steroids and steroid derivatives |
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| Sub Class | Physalins and derivatives |
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| Direct Parent | Physalins and derivatives |
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| Alternative Parents | |
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| Substituents | - Physalin skeleton
- Tricarboxylic acid or derivatives
- Furopyran
- Cyclohexenone
- Delta_valerolactone
- Delta valerolactone
- Pyran
- Oxane
- Gamma butyrolactone
- Tetrahydrofuran
- Tertiary alcohol
- Furan
- Cyclic alcohol
- Lactone
- Ketone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | |
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| Spectra |
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| Spectra | Not Available |
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| External Links |
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| ChemSpider ID | Not Available |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | Not Available |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB39639 |
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| CRC / DFC (Dictionary of Food Compounds) ID | LWD21-I:LWD21-I |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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