Products for Research Use Only
RegisterLogin

Speciogynine

CAT: 1596-AR-P30452-02Size: 25 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-P30452-02Size:25 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
4697-67-0
Molecular Formula
C23H30N2O4
Molecular Weight
398.50
API Name
Paynantheine

Chemical Information

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.

CAS Number4697-67-0
PubChem CID15560577
IUPAC Namemethyl (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
Molecular FormulaC23H30N2O4
Molecular Weight398.5
XLogP3.4
Topological Polar Surface Area63.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity624
SMILES
CC[C@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC
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
InChIKey
LELBFTMXCIIKKX-CYSPOEIOSA-N
Chemical Structure
2D Structure
2D structure of Speciogynine
CAS: 4697-67-0
CID: 15560577
Formula: C23H30N2O4
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass398.22055744
Monoisotopic Mass398.22055744
Topological Polar Surface Area63.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity624
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19277745-01Speciogynine
CS-O-44640Speciogynine D3

Popular Products