Identification
- Generic Name
- Ginsenoside C
- DrugBank Accession Number
- DB06748
- Background
Not Available
- Type
- Small Molecule
- Groups
- Nutraceutical
- Structure
Structure for Ginsenoside C (DB06748)
- Weight
- Average: 1079.281
Monoisotopic: 1078.592374538 - Chemical Formula
- C53H90O22
- Synonyms
- ginsenoside Rb2
- External IDs
- NSC 308878
- NSC-308878
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAmbroxol The risk or severity of methemoglobinemia can be increased when Ginsenoside C is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Ginsenoside C is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Ginsenoside C is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Ginsenoside C is combined with Benzyl alcohol. Bupivacaine The 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
- External Links
- PubChem Compound
- 6917976
- PubChem Substance
- 99443284
- ChemSpider
- 5293194
- ChEBI
- 77152
- ChEMBL
- CHEMBL449303
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
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
Property Value Source Water Solubility 0.784 mg/mL ALOGPS logP -0.02 ALOGPS logP -0.92 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 11.75 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 22 Chemaxon Hydrogen Donor Count 14 Chemaxon Polar Surface Area 357.06 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 260.93 m3·mol-1 Chemaxon Polarizability 116.99 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.6159 Blood Brain Barrier + 0.5773 Caco-2 permeable - 0.9066 P-glycoprotein substrate Substrate 0.8843 P-glycoprotein inhibitor I Inhibitor 0.7261 P-glycoprotein inhibitor II Non-inhibitor 0.8102 Renal organic cation transporter Non-inhibitor 0.8362 CYP450 2C9 substrate Non-substrate 0.8625 CYP450 2D6 substrate Non-substrate 0.8748 CYP450 3A4 substrate Substrate 0.7082 CYP450 1A2 substrate Non-inhibitor 0.9057 CYP450 2C9 inhibitor Non-inhibitor 0.8671 CYP450 2D6 inhibitor Non-inhibitor 0.938 CYP450 2C19 inhibitor Non-inhibitor 0.9036 CYP450 3A4 inhibitor Non-inhibitor 0.9502 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9413 Ames test Non AMES toxic 0.9373 Carcinogenicity Non-carcinogens 0.9607 Biodegradation Not ready biodegradable 0.9697 Rat acute toxicity 4.0254 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9348 hERG inhibition (predictor II) Inhibitor 0.6172
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 06, 2010 19:50 / Updated at June 12, 2020 16:52