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Alkaloids

Speciogynine

Also known as (+)-Speciogynine, 17,18-Secoyohimban-16-carboxylic acid, 16,17-didehydro-9,17-dimethoxy-, methyl ester, (E)-, methyl (E)-2-[(2S,3R,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

CAS 4697-67-0Formula C23H30N2O4Molar mass 398.50 g/mol
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Speciogynine chemical structure, C23H30N2O4, CAS 4697-67-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4697-67-0
Formula
C23H30N2O4
Molar mass
398.50 g/mol
HS code
293979
Category
Alkaloids

What is Speciogynine?

Plain description, key identifiers and synonyms

Speciogynine is a monoterpenoid indole alkaloid with formula C23H30N2O4. It is isolated from the plants Mitragyna speciosa and Mitragyna inermis. It has a role as an anticonvulsant and a plant metabolite. It is a methyl ester, an organic heterotetracyclic compound, an enol ether and a monoterpenoid indole alkaloid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (E)-2-[(2S,3R,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
CAS number
4697-67-0
Molecular formula
C23H30N2O4
UNII
BB185OF16A
InChIKey
LELBFTMXCIIKKX-CYSPOEIOSA-N
InChI
InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16-,19-/m0/s1
Canonical SMILES
CCC1CN2CCc3c([nH]c4cccc(OC)c34)C2CC1C(=COC)C(=O)OC
Isomeric SMILES
CC[C@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC

Synonyms

  • (+)-Speciogynine
  • 17,18-Secoyohimban-16-carboxylic acid, 16,17-didehydro-9,17-dimethoxy-, methyl ester, (E)-
  • methyl (E)-2-[(2S,3R,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
  • Indolo(2,3-a)quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-alpha-(methoxymethylene)-, methyl ester, (alphaE,2S,3R,12bS)-
  • methyl (E)-2-((2S,3R,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizin-2-yl)-3-methoxyprop-2-enoate
  • (16E)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester
  • Methyl (16E)-9,17-dimethoxycoryn-16-en-16-carboxylate
  • methyl (16E)-9-methoxy-16-(methoxymethylidene)corynan-17-oate
  • (alphaE,2S,3R,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-alpha-(methoxymethylene)-indolo[2,3-a]quinolizine-2-acetic acid methyl ester
  • Indolo(2,3-a)quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-alpha-(methoxymethylene)-, methyl ester, (.alpha.e,2S,3R,12bs)-
  • methyl (E)-2-[(2S,3R,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxy-prop-2-enoate

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
398.50 g/molcalc.
Exact mass
398.2206 Dacalc.
LogP (octanol/water)
3.83calc.
Topological polar surface area
63.79 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
3calc.
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, c1ccc2c3c([nH]c2c1)C1CCCCN1CC3

c1ccc2c3c([nH]c2c1)C1CCCCN1CC3

4 rings, 17 atoms, the 1,2,3,4,6,7,12,12b-Octahydroindolo(2,3-a)quinolizine ring system.

58 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Speciogynine suppliers

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Speciogynine 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

Roles

  • anticonvulsant
  • central nervous system depressant
  • central nervous system drug
  • eukaryotic metabolite
  • metabolite
  • pharmaceutical
  • plant metabolite

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 Speciogynine is traded under.

HS 2939.79Indicative HS code

Alkaloids of vegetal origin, other than cocaine, ecgonine, salts, esters and other derivatives, not elsewhere…

World exports in 2024
$701M
+18.9% vs 2023, imports $830M
2019 to 2024
Top exporters
  1. Switzerland * partner reported25.3%
  2. Germany21.4%
  3. India * partner reported14.9%
Top importers
  1. United States20.9%
  2. Germany14.7%
  3. Italy14.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Speciogynine is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Speciogynine?

Speciogynine is a monoterpenoid indole alkaloid with formula C23H30N2O4. It is isolated from the plants Mitragyna speciosa and Mitragyna inermis. It has a role as an anticonvulsant and a plant metabolite. It is a methyl ester, an organic heterotetracyclic compound, an enol ether and a monoterpenoid indole alkaloid.

What is the CAS number of Speciogynine?

The CAS registry number of Speciogynine is 4697-67-0.

What is the molecular formula and weight of Speciogynine?

The molecular formula of Speciogynine is C23H30N2O4 and its molar mass is 398.50 g/mol.

What is Speciogynine used for?

Known uses and roles of Speciogynine include anticonvulsant, central nervous system depressant, central nervous system drug, eukaryotic metabolite, metabolite and 2 more.

Is Speciogynine hazardous?

No GHS hazard classification for Speciogynine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Speciogynine?

Speciogynine is usually classified under HS code 293979 (Alkaloids, natural or reproduced by synthesis, and their salts, ethers, esters and other…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Speciogynine?

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What is the price of Speciogynine?

Suppliers quote Speciogynine 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

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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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