NAV

Ginsenoside C

Identification

Generic Name
Ginsenoside C
DrugBank Accession Number
DB06748
Background

Not Available

Type
Small Molecule
Groups
Nutraceutical
Structure
Similar Structures
Weight
Average: 1079.281
Monoisotopic: 1078.592374538
Chemical Formula
C53H90O22
Synonyms
  • ginsenoside Rb2
External IDs
  • NSC 308878
  • NSC-308878
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Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
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AmbroxolThe risk or severity of methemoglobinemia can be increased when Ginsenoside C is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Ginsenoside C is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Ginsenoside C is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Ginsenoside C is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Ginsenoside C is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Prenol lipids
Sub Class
Terpene glycosides
Direct Parent
Triterpene saponins
Alternative Parents
Triterpenoids / Steroidal glycosides / 12-hydroxysteroids / 14-alpha-methylsteroids / Fatty acyl glycosides of mono- and disaccharides / Alkyl glycosides / Disaccharides / O-glycosyl compounds / Oxanes / Secondary alcohols
show 6 more
Substituents
12-hydroxysteroid / 14-alpha-methylsteroid / Acetal / Alcohol / Aliphatic heteropolycyclic compound / Alkyl glycoside / Cyclic alcohol / Disaccharide / Fatty acyl / Fatty acyl glycoside
show 17 more
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
beta-D-glucoside, disaccharide derivative, tetracyclic triterpenoid, 12beta-hydroxy steroid, ginsenoside (CHEBI:77152)
Affected organisms
Not Available

Chemical Identifiers

UNII
N219O0L31C
CAS number
11021-13-9
InChI Key
NODILNFGTFIURN-GZPRDHCNSA-N
InChI
InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1
IUPAC Name
(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-{[(1R,2R,5S,7R,10R,11R,14S,15R,16R)-16-hydroxy-2,6,6,10,11-pentamethyl-14-[(2S)-6-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

References

General References
Not Available
PubChem Compound
6917976
PubChem Substance
99443284
ChemSpider
5293194
ChEBI
77152
ChEMBL
CHEMBL449303

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.784 mg/mLALOGPS
logP-0.02ALOGPS
logP-0.92Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)11.75Chemaxon
pKa (Strongest Basic)-3.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count22Chemaxon
Hydrogen Donor Count14Chemaxon
Polar Surface Area357.06 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity260.93 m3·mol-1Chemaxon
Polarizability116.99 Å3Chemaxon
Number of Rings8Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.6159
Blood Brain Barrier+0.5773
Caco-2 permeable-0.9066
P-glycoprotein substrateSubstrate0.8843
P-glycoprotein inhibitor IInhibitor0.7261
P-glycoprotein inhibitor IINon-inhibitor0.8102
Renal organic cation transporterNon-inhibitor0.8362
CYP450 2C9 substrateNon-substrate0.8625
CYP450 2D6 substrateNon-substrate0.8748
CYP450 3A4 substrateSubstrate0.7082
CYP450 1A2 substrateNon-inhibitor0.9057
CYP450 2C9 inhibitorNon-inhibitor0.8671
CYP450 2D6 inhibitorNon-inhibitor0.938
CYP450 2C19 inhibitorNon-inhibitor0.9036
CYP450 3A4 inhibitorNon-inhibitor0.9502
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9413
Ames testNon AMES toxic0.9373
CarcinogenicityNon-carcinogens0.9607
BiodegradationNot ready biodegradable0.9697
Rat acute toxicity4.0254 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9348
hERG inhibition (predictor II)Inhibitor0.6172
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-016s-3000101900-b17bdfeb54bfbc0f2555
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9100000003-2be50b5a89860a829fed
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004j-9210001107-b5ea9202bb8e6f86416c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-9500421202-37718381735fb0d8257a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0aei-9400000318-631401c10c88e607307a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-06vj-6900100504-7955cb32774b5a01e18e
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 06, 2010 19:50 / Updated at June 12, 2020 16:52