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Screening compounds

Isomitraphylline

Also known as Ajmalicine oxindole A, 7-Isomitraphylline, Isomitraphyllin

CAS 4963-01-3Formula C21H24N2O4Molar mass 368.43 g/molEC 683-128-5
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 1 supplier listed
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Isomitraphylline chemical structure, C21H24N2O4, CAS 4963-01-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4963-01-3
Formula
C21H24N2O4
Molar mass
368.43 g/mol
EC number
683-128-5
HS code
293499
Category
Screening compounds

What is Isomitraphylline?

Plain description, key identifiers and synonyms

isomitraphylline has been reported in Uncaria homomalla, Uncaria tomentosa, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1S,4aS,5aS,6S,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
CAS number
4963-01-3
EC number
683-128-5
Molecular formula
C21H24N2O4
UNII
XKC69MV51V
InChIKey
JMIAZDVHNCCPDM-NWQITLLVSA-N
InChI
InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14+,18-,21-/m0/s1
Canonical SMILES
COC(=O)C1=COC(C)C2CN3CCC4(C(=O)Nc5ccccc54)C3CC12
Isomeric SMILES
C[C@H]1[C@H]2CN3CC[C@@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O

Synonyms

  • Ajmalicine oxindole A
  • 7-Isomitraphylline
  • Isomitraphyllin
  • Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (7alpha,19alpha)-
  • methyl (1S,4aS,5aS,6S,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
  • methyl (1S,4aS,5aS,6S,10aR)-1-methyl-2'-oxospiro(1,4a,5,5a,7,8,10,10a-octahydropyrano(3,4-f)indolizine-6,3'-1H-indole)-4-carboxylate
  • Isomitraphylline (constituent of cat's claw)
  • Methyl (1'S,3S,4a'S,5a'S,10a'R)-1'-methyl-2-oxo-4a',5',5a',7',8',10a'-hexahydro-1'H,10'H-spiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate
  • Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (7alpha,19.alpha.)-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
368.43 g/molcalc.
Exact mass
368.1736 Dacalc.
LogP (octanol/water)
2.06calc.
Topological polar surface area
67.87 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
27calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1Nc2ccccc2C12CCN1CC3COC=CC3CC12

O=C1Nc2ccccc2C12CCN1CC3COC=CC3CC12

5 rings, 22 atoms.

18 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H300Fatal if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Isomitraphylline suppliers

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Where suppliers are based

1 supplier in 1 country

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Isomitraphylline price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Isomitraphylline is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Isomitraphylline is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Isomitraphylline, based on the data on this page

What is Isomitraphylline?

isomitraphylline has been reported in Uncaria homomalla, Uncaria tomentosa, and other organisms.

What is the CAS number of Isomitraphylline?

The CAS registry number of Isomitraphylline is 4963-01-3.

What is the molecular formula and weight of Isomitraphylline?

The molecular formula of Isomitraphylline is C21H24N2O4 and its molar mass is 368.43 g/mol.

What is Isomitraphylline used for?

Known uses and roles of Isomitraphylline include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Isomitraphylline hazardous?

Isomitraphylline carries the GHS signal word "Danger". Main hazards: fatal if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Isomitraphylline?

Isomitraphylline is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isomitraphylline?

CompoundList lists 1 supplier of Isomitraphylline in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Isomitraphylline?

Suppliers quote Isomitraphylline on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Isomitraphylline

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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