metabolite

Showing entry for Ginsenoside Rh1

Identification

PhytoHub ID
PHUB000953
Name
Ginsenoside Rh1
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
638.883
Monoisotopic Mass
638.439383576
Chemical Formula
C36H62O9
IUPAC Name
(2R,3R,4S,5S,6R)-2-{[(3aR,3bR,5S,7S,9aR,11R)-7,11-dihydroxy-1-(2-hydroxy-6-methylhept-5-en-2-yl)-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI Key
RAQNTCRNSXYLAH-GMRSYGDLSA-N
InChI Identifier
InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20?,21-,22+,23-,24?,25+,26?,27-,28+,29-,30?,31-,33-,34-,35-,36+/m1/s1
SMILES
CC(C)=CCCC(C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](O)C(C)(C)C3[C@H](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
7.43e-02 g/l
LogS (ALOGPS)
-3.93
LogP (ALOGPS)
2.68
Hydrogen Acceptors
9
Hydrogen Donors
7
Rotatable Bond Count
7
Polar Surface Area
160.07
Refractivity
171.2417
Polarizability
73.34628773404174
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.838900957340167
pKa (strongest acidic)
12.207106820940874
Number of Rings
5
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
Yes

Taxonomy as Metabolite

Family
Terpenoids
Class
Triterpenoids
Sub-class
Saponins

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
Ginsenoside ReTerpenoidsTriterpenoidsSaponinsShow Food Phytochemical

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Prenol lipids
Super-class
Lipids and lipid-like molecules
Sub-class
Terpene glycosides
Direct Parent Name
Triterpene saponins
Alternative Parent Names
["12-hydroxysteroids", "14-alpha-methylsteroids", "3-beta-hydroxysteroids", "Acetals", "Cyclic alcohols and derivatives", "Hexoses", "Hydrocarbon derivatives", "O-glycosyl compounds", "Oxacyclic compounds", "Oxanes", "Polyols", "Primary alcohols", "Secondary alcohols", "Tertiary alcohols", "Triterpenoids"]
External Descriptor Annotations
Not Available
Substituent Names
["12-hydroxysteroid", "14-alpha-methylsteroid", "20-hydroxysteroid", "3-beta-hydroxysteroid", "3-hydroxysteroid", "Acetal", "Alcohol", "Aliphatic heteropolycyclic compound", "Cyclic alcohol", "Glycosyl compound", "Hexose monosaccharide", "Hydrocarbon derivative", "Hydroxysteroid", "Monosaccharide", "O-glycosyl compound", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Polyol", "Primary alcohol", "Secondary alcohol", "Steroid", "Tertiary alcohol", "Triterpene saponin", "Triterpenoid"]

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Ginsenoside Re Ginsenoside Rh1human ratplasma, urine (minor)Not AvailableNot AvailableNot AvailableNot AvailableC36H62O9638.439383576 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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