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Record Information
Version2.0
Created at2022-06-29 21:56:39 UTC
Updated at2022-06-29 21:56:39 UTC
NP-MRD IDNP0140882
Secondary Accession NumbersNone
Natural Product Identification
Common NamePennogenin
DescriptionPennogenin belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Thus, pennogenin is considered to be a sterol. Pennogenin is found in Dioscorea bulbifera, Dioscorea composita, Dracaena cambodiana, Paris polyphylla and Polygonatum stenophyllum. Pennogenin was first documented in 2020 (PMID: 32488904). Based on a literature review a significant number of articles have been published on pennogenin (PMID: 32378425) (PMID: 33460752) (PMID: 32315895) (PMID: 34279421) (PMID: 35610010) (PMID: 35335224).
Structure
Thumb
Synonyms
ValueSource
(25R)-Spirost-5-ene-3beta,17-diolChEBI
(25R)-Spirost-5-ene-3b,17-diolGenerator
(25R)-Spirost-5-ene-3β,17-diolGenerator
Chemical FormulaC27H42O4
Average Mass430.6290 Da
Monoisotopic Mass430.30831 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
C[C@@H]1[C@@]2(CC[C@@H](C)CO2)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]12O
InChI Identifier
InChI=1S/C27H42O4/c1-16-7-12-26(30-15-16)17(2)27(29)23(31-26)14-22-20-6-5-18-13-19(28)8-10-24(18,3)21(20)9-11-25(22,27)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26-,27-/m1/s1
InChI KeySYYHBUHOUUETMI-WJOMMTHPSA-N
Experimental Spectra
Not Available
Predicted Spectra
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Dioscorea bulbiferaLOTUS Database
Dioscorea compositaLOTUS Database
Dracaena cambodianaLOTUS Database
Paris polyphyllaLOTUS Database
Polygonatum stenophyllumLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTriterpenoids
Direct ParentTriterpenoids
Alternative Parents
Substituents
  • Triterpenoid
  • Spirostane skeleton
  • 3-hydroxy-delta-5-steroid
  • 3-hydroxysteroid
  • Hydroxysteroid
  • 3-beta-hydroxy-delta-5-steroid
  • 3-beta-hydroxysteroid
  • 17-hydroxysteroid
  • Steroid
  • Delta-5-steroid
  • Ketal
  • Oxane
  • Monosaccharide
  • Tetrahydrofuran
  • Tertiary alcohol
  • Cyclic alcohol
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Acetal
  • Hydrocarbon derivative
  • Alcohol
  • Organooxygen compound
  • Organic oxygen compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDC00048504
Chemspider ID23253323
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound12314056
PDB IDNot Available
ChEBI ID71824
Good Scents IDNot Available
References
General References