(25S)-12-Ketoporrigenin (FDB003084)
Record Information | |||||||||
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Version | 1.0 | ||||||||
Creation date | 2010-04-08 22:05:39 UTC | ||||||||
Update date | 2019-08-01 18:41:46 UTC | ||||||||
Primary ID | FDB003084 | ||||||||
Secondary Accession Numbers | Not Available | ||||||||
Chemical Information | |||||||||
FooDB Name | (25S)-12-Ketoporrigenin | ||||||||
Description | 12-Ketoporrigenin belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. 12-Ketoporrigenin is an extremely weak basic (essentially neutral) compound (based on its pKa). | ||||||||
CAS Number | 189014-45-7 | ||||||||
Structure | |||||||||
Synonyms | |||||||||
Predicted Properties | Not Available | ||||||||
Chemical Formula | C27H42O5 | ||||||||
IUPAC name | |||||||||
InChI Identifier | InChI=1S/C27H42O5/c1-14-5-8-27(31-13-14)15(2)24-22(32-27)11-19-17-10-21(29)20-9-16(28)6-7-25(20,3)18(17)12-23(30)26(19,24)4/h14-22,24,28-29H,5-13H2,1-4H3 | ||||||||
InChI Key | AEDBOXCTQDATMF-UHFFFAOYSA-N | ||||||||
Isomeric SMILES | CC1C2C(CC3C4CC(O)C5CC(O)CCC5(C)C4CC(=O)C23C)OC11CCC(C)CO1 | ||||||||
Average Molecular Weight | 446.6194 | ||||||||
Monoisotopic Molecular Weight | 446.303224454 | ||||||||
Classification | |||||||||
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 | Not Available | ||||||||
Substituents | Not Available | ||||||||
Molecular Framework | Aliphatic heteropolycyclic compounds | ||||||||
External Descriptors | Not Available | ||||||||
Ontology | |||||||||
Ontology | No ontology term | ||||||||
Physico-Chemical Properties | |||||||||
Physico-Chemical Properties - Experimental | |||||||||
Spectra | |||||||||
Spectra | |||||||||
EI-MS/GC-MS | Not Available | ||||||||
MS/MS | Not Available | ||||||||
NMR | Not Available | ||||||||
External Links | |||||||||
ChemSpider ID | Not Available | ||||||||
ChEMBL ID | Not Available | ||||||||
KEGG Compound ID | Not Available | ||||||||
Pubchem Compound ID | Not Available | ||||||||
Pubchem Substance ID | Not Available | ||||||||
ChEBI ID | Not Available | ||||||||
Phenol-Explorer ID | Not Available | ||||||||
DrugBank ID | Not Available | ||||||||
HMDB ID | HMDB31079 | ||||||||
CRC / DFC (Dictionary of Food Compounds) ID | CPY60-C:CQO11-X | ||||||||
EAFUS ID | Not Available | ||||||||
Dr. Duke ID | Not Available | ||||||||
BIGG ID | Not Available | ||||||||
KNApSAcK ID | Not Available | ||||||||
HET ID | Not Available | ||||||||
Food Biomarker Ontology | Not Available | ||||||||
VMH ID | Not Available | ||||||||
Flavornet ID | Not Available | ||||||||
GoodScent ID | Not Available | ||||||||
SuperScent ID | Not Available | ||||||||
Wikipedia ID | Not Available | ||||||||
Phenol-Explorer Metabolite ID | Not Available | ||||||||
Duplicate IDS | Not Available | ||||||||
Old DFC IDS | Not Available | ||||||||
Associated Foods | |||||||||
Processing... | |||||||||
Biological Effects and Interactions | |||||||||
Health Effects / Bioactivities | Not Available | ||||||||
Enzymes | Not Available | ||||||||
Pathways | Not Available | ||||||||
Metabolism | Not Available | ||||||||
Biosynthesis | Not Available | ||||||||
Organoleptic Properties | |||||||||
Flavours | Not Available | ||||||||
Files | |||||||||
MSDS | Not Available | ||||||||
References | |||||||||
Synthesis Reference | Not Available | ||||||||
General Reference | Not Available | ||||||||
Content Reference |