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

Similar Structures

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
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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

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End
Centella Scar Ylang Ylang	Asiatic acid (0.045 g/15g) + Asiaticoside (0.06 g/15g) + Madecassic acid (0.045 g/15g)	Ointment	Topical	NoTS Co.,Ltd	2016-12-01	2018-12-01
Karatica Im Cica Essence Pack	Asiatic acid (0.01 g/100mL) + Asiaticoside (0.01 g/100mL) + Madecassic acid (0.01 g/100mL) + Madecassoside (0.01 g/100mL)	Liquid	Topical	Karatica Co., Ltd	2019-08-17	Not applicable
Troiareuke Acsen Recovery	Asiatic acid (0.008 g/25mL) + Asiaticoside (0.009 g/25mL) + Madecassic acid (0.008 g/25mL)	Cream	Topical	Mk Universal Inc.	2018-05-01	2018-12-01

Unapproved/Other Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End
Centella Scar Ylang Ylang	Asiatic acid (0.045 g/15g) + Asiaticoside (0.06 g/15g) + Madecassic acid (0.045 g/15g)	Ointment	Topical	NoTS Co.,Ltd	2016-12-01	2018-12-01
Karatica Im Cica Essence Pack	Asiatic acid (0.01 g/100mL) + Asiaticoside (0.01 g/100mL) + Madecassic acid (0.01 g/100mL) + Madecassoside (0.01 g/100mL)	Liquid	Topical	Karatica Co., Ltd	2019-08-17	Not applicable
Troiareuke Acsen Recovery	Asiatic acid (0.008 g/25mL) + Asiaticoside (0.009 g/25mL) + Madecassic acid (0.008 g/25mL)	Cream	Topical	Mk Universal Inc.	2018-05-01	2018-12-01

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

External Links

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

Phase	Status	Purpose	Conditions	Count

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Form	Route	Strength
Ointment	Topical
Liquid	Topical
Cream	Topical

Prices

Not Available

Patents

Not Available

Properties

State

Solid

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.0114 mg/mL	ALOGPS
logP	4.81	ALOGPS
logP	4.23	Chemaxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	4.74	Chemaxon
pKa (Strongest Basic)	-2.8	Chemaxon
Physiological Charge	-1	Chemaxon
Hydrogen Acceptor Count	5	Chemaxon
Hydrogen Donor Count	4	Chemaxon
Polar Surface Area	97.99 Å²	Chemaxon
Rotatable Bond Count	2	Chemaxon
Refractivity	136.83 m³·mol^-1	Chemaxon
Polarizability	56.63 Å³	Chemaxon
Number of Rings	5	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Predicted ADMET Features

Not Available

Spectra

Mass Spec (NIST): Not Available
Spectra: Not Available

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

Asiatic acid

Identification

Structure for Asiatic acid (DB14054)

Pharmacology

Interactions

Products

Categories

Chemical Identifiers

References

Clinical Trials

Pharmacoeconomics

Properties

Spectra