NAV

Madecassic acid

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Madecassic acid
DrugBank Accession Number
DB14037
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 504.708
Monoisotopic: 504.345089266
Chemical Formula
C30H48O6
Synonyms
  • 6β-hydroxyasiatic acid
  • Brahmic acid
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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.
Not Available
Food Interactions
Not Available

Products

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Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Callicos CellAwake Mask madecassolLiquid0.04 g/100gTopicalHONGWON COSTECH CO.,LTD2021-04-02Not applicableUS flag
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Centella Scar Ylang YlangMadecassic acid (0.045 g/15g) + Asiatic acid (0.045 g/15g) + Asiaticoside (0.06 g/15g)OintmentTopicalNoTS Co.,Ltd2016-12-012018-12-01US flag
Karatica Im Cica Essence PackMadecassic acid (0.01 g/100mL) + Asiatic acid (0.01 g/100mL) + Asiaticoside (0.01 g/100mL) + Madecassoside (0.01 g/100mL)LiquidTopicalKaratica Co., Ltd2019-08-17Not applicableUS flag
Troiareuke Acsen RecoveryMadecassic acid (0.008 g/25mL) + Asiatic acid (0.008 g/25mL) + Asiaticoside (0.009 g/25mL)CreamTopicalMk Universal Inc.2018-05-012018-12-01US flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Callicos CellAwake Mask madecassolMadecassic acid (0.04 g/100g)LiquidTopicalHONGWON COSTECH CO.,LTD2021-04-02Not applicableUS flag
Centella Scar Ylang YlangMadecassic acid (0.045 g/15g) + Asiatic acid (0.045 g/15g) + Asiaticoside (0.06 g/15g)OintmentTopicalNoTS Co.,Ltd2016-12-012018-12-01US flag
Karatica Im Cica Essence PackMadecassic acid (0.01 g/100mL) + Asiatic acid (0.01 g/100mL) + Asiaticoside (0.01 g/100mL) + Madecassoside (0.01 g/100mL)LiquidTopicalKaratica Co., Ltd2019-08-17Not applicableUS flag
Troiareuke Acsen RecoveryMadecassic acid (0.008 g/25mL) + Asiatic acid (0.008 g/25mL) + Asiaticoside (0.009 g/25mL)CreamTopicalMk Universal Inc.2018-05-012018-12-01US flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
M7O1N24J82
CAS number
18449-41-7
InChI Key
PRAUVHZJPXOEIF-AOLYGAPISA-N
InChI
InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21-,22+,23-,24+,26-,27+,28-,29-,30+/m1/s1
IUPAC Name
(1S,2R,4aS,6aS,6bR,8R,8aR,9R,10R,11R,12aR,12bR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
SMILES
[H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)C[C@@H](O)[C@@]1([H])[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]21C)C(O)=O

References

General References
Not Available
ChemSpider
66126
BindingDB
50244879
RxNav
1551573
ChEBI
73058
ChEMBL
CHEMBL481854
ZINC
ZINC000014243546

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
LiquidTopical0.04 g/100g
OintmentTopical
LiquidTopical
CreamTopical
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0356 mg/mLALOGPS
logP3.52ALOGPS
logP2.92Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)4.64Chemaxon
pKa (Strongest Basic)-2.8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area118.22 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity138.43 m3·mol-1Chemaxon
Polarizability57.47 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4r-0011960000-6200077ab119911b3443
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0000090000-0ac24b9167c1f1bdf7db
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05no-0111910000-a070566f43ffb507adbc
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0zmr-0000920000-7fe4553d4b56718cd39a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uk9-0965000000-df5f1a9cd5f224eba952
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a6r-0000900000-f86b8923c8bf14b6fd65
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-228.404542
predicted
DarkChem Lite v0.1.0
[M+H]+229.278542
predicted
DarkChem Lite v0.1.0
[M+Na]+227.510542
predicted
DarkChem Lite v0.1.0

Drug created at May 17, 2018 20:41 / Updated at June 12, 2020 16:53