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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 20:03:37 UTC
Update Date2022-03-07 02:54:22 UTC
HMDB IDHMDB0035116
Secondary Accession Numbers
  • HMDB35116
Metabolite Identification
Common Name(ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid
Description(ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid, also known as 7a-7-hydroxy-8(14),15-isopimaradien-18-Oate or 2-hydroxy-4-(methoxymethyl)-6-propylnicotinonitrile, belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Based on a literature review a small amount of articles have been published on (ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid.
Structure
Thumb
Synonyms
ValueSource
(ent-7a)-7-Hydroxy-8(14),15-pimaradien-19-OateGenerator
(ent-7a)-7-Hydroxy-8(14),15-pimaradien-19-Oic acidGenerator
(ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-OateGenerator
(ent-7Α)-7-hydroxy-8(14),15-pimaradien-19-OateGenerator
(ent-7Α)-7-hydroxy-8(14),15-pimaradien-19-Oic acidGenerator
2-Hydroxy-4-(methoxymethyl)-6-propylnicotinonitrileHMDB
7-Ethenyl-9-hydroxy-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylateHMDB
7a-7-Hydroxy-8(14),15-isopimaradien-18-OateHMDB
7a-7-Hydroxy-8(14),15-isopimaradien-18-Oic acidHMDB
7alpha-7-Hydroxy-8(14),15-isopimaradien-18-OateHMDB
7Α-7-hydroxy-8(14),15-isopimaradien-18-OateHMDB
7Α-7-hydroxy-8(14),15-isopimaradien-18-Oic acidHMDB
Chemical FormulaC20H30O3
Average Molecular Weight318.4504
Monoisotopic Molecular Weight318.219494826
IUPAC Name7-ethenyl-9-hydroxy-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid
Traditional Name7-ethenyl-9-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
CAS Registry Number23807-91-2
SMILES
CC1(CCC2C(=C1)C(O)CC1C2(C)CCCC1(C)C(O)=O)C=C
InChI Identifier
InChI=1S/C20H30O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14-16,21H,1,6-11H2,2-4H3,(H,22,23)
InChI KeyPLKOJNUQWAKPNC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassDiterpenoids
Direct ParentDiterpenoids
Alternative Parents
Substituents
  • Diterpenoid
  • Pimarane diterpenoid
  • Hydrophenanthrene
  • Phenanthrene
  • Cyclic alcohol
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Organooxygen compound
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point218 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB018343
KNApSAcK IDNot Available
Chemspider ID29814271
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14864259
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.