Asiatic acid

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

Identification

Generic Name
Asiatic acid
DrugBank Accession Number
DB14054
Background

From Centella asiatica and other plants; shows a variety of bioactivities.

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 488.6991
Monoisotopic: 488.350174646
Chemical Formula
C30H48O5
Synonyms
  • Dammarolic acid

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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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Centella Scar Ylang YlangAsiatic acid (0.045 g/15g) + Asiaticoside (0.06 g/15g) + Madecassic acid (0.045 g/15g)OintmentTopicalNoTS Co.,Ltd2016-12-012018-12-01US flag
Karatica Im Cica Essence PackAsiatic acid (0.01 g/100mL) + Asiaticoside (0.01 g/100mL) + Madecassic acid (0.01 g/100mL) + Madecassoside (0.01 g/100mL)LiquidTopicalKaratica Co., Ltd2019-08-17Not applicableUS flag
Troiareuke Acsen RecoveryAsiatic acid (0.008 g/25mL) + Asiaticoside (0.009 g/25mL) + Madecassic acid (0.008 g/25mL)CreamTopicalMk Universal Inc.2018-05-012018-12-01US flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Centella Scar Ylang YlangAsiatic acid (0.045 g/15g) + Asiaticoside (0.06 g/15g) + Madecassic acid (0.045 g/15g)OintmentTopicalNoTS Co.,Ltd2016-12-012018-12-01US flag
Karatica Im Cica Essence PackAsiatic acid (0.01 g/100mL) + Asiaticoside (0.01 g/100mL) + Madecassic acid (0.01 g/100mL) + Madecassoside (0.01 g/100mL)LiquidTopicalKaratica Co., Ltd2019-08-17Not applicableUS flag
Troiareuke Acsen RecoveryAsiatic acid (0.008 g/25mL) + Asiaticoside (0.009 g/25mL) + Madecassic acid (0.008 g/25mL)CreamTopicalMk Universal Inc.2018-05-012018-12-01US flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
9PA5A687X5
CAS number
464-92-6
InChI Key
JXSVIVRDWWRQRT-UYDOISQJSA-N
InChI
InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
IUPAC Name
(1S,2R,4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-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[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)[C@@]2(C)CO

References

General References
Not Available
KEGG Compound
C08617
ChemSpider
106361
BindingDB
50241487
RxNav
1551574
ChEBI
2873
ChEMBL
CHEMBL404313
ZINC
ZINC000008221271
PDBe Ligand
0AS
PDB Entries
2qn1

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
OintmentTopical
LiquidTopical
CreamTopical
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0114 mg/mLALOGPS
logP4.81ALOGPS
logP4.23Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)4.74Chemaxon
pKa (Strongest Basic)-2.8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area97.99 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity136.83 m3·mol-1Chemaxon
Polarizability56.63 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
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/MSsplash10-0079-0020900000-0e602caf02713c167290
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0000900000-7beb2568c277e2e9c378
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pki-1032900000-4df00eb09c1988d4ab15
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0000900000-70fff5e1c60f3360e9ec
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-1000900000-ba15709a17fa2c921f4b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052r-2941300000-ab5db01af5119b033cb1
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-222.1133713
predicted
DarkChem Lite v0.1.0
[M-H]-202.65442
predicted
DeepCCS 1.0 (2019)
[M+H]+220.9593713
predicted
DarkChem Lite v0.1.0
[M+H]+204.54984
predicted
DeepCCS 1.0 (2019)
[M+Na]+219.5683713
predicted
DarkChem Lite v0.1.0
[M+Na]+210.4055
predicted
DeepCCS 1.0 (2019)

Drug created at June 12, 2018 16:04 / Updated at June 12, 2020 16:53