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Alkaloids

Tembetarine

藤泊它碱

PHY-NP-10259 · Natural product research catalog

Catalog numberPHY-NP-10259
CAS number18446-73-6
Molecular formulaC20H26NO4+
Molecular weight344.431 g/mol
Chemical classAlkaloids
Main reported sourceTinospora cordifolia
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Tembetarine

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Product information

Tembetarine is listed in the Alkaloids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
SMILESC[N+]1(CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC)C
InChIKeyABSDACFLIMOXJY-INIZCTEOSA-O
Subclass / scaffoldTyrosine alkaloids:Isoquinoline alkaloids
PubChem CID167718

Computed properties

Exact mass (Da)344.1856Predicted LogP3.0313
Predicted TPSA (Ų)58.92H-bond donors2
H-bond acceptors4Rotatable bonds4

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count3
Aromatic rings2
Fraction Csp³0.4
Synthetic accessibility score3.23
QED score0.837
Lipinski rule violations0
NPClassifier pathwayAlkaloids
NPClassifier superclassTyrosine alkaloids
NPClassifier classIsoquinoline alkaloids
Parent SMILESCOc1ccc(C[C@H]2c3cc(O)c(OC)cc3CC[N+]2(C)C)cc1O
Parent formulaC20H26NO4+
Parent molecular weight344.431
Specified stereocenters1
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceTinospora cordifolia
Reported source familiesMenispermaceae; Rutaceae; Annonaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS / Wikidata speciesTinospora cordifolia[2]; Zanthoxylum usambarense[2]; Cymbopetalum brasiliense[1]; Magnolia officinalis[1]; Parabaena megalocarpa[1]; Parabaena sagittata[1]; Parabaena tuberculata[1]; Thalictrum foliolosum[1]; Tinospora baenzigeri[1]; Tinospora crispa[1]; Tinospora glabra[1]; Tinospora merrilliana[1]; Tinospora sinensis[1]; Tinospora smilacina[1]; Xylopia holtzii[1]
All reported source familiesMenispermaceae[10]; Rutaceae[9]; Annonaceae[2]; Magnoliaceae[1]; Ranunculaceae[1]
LOTUS species records23
LOTUS reference records14
COCONUT occurrence recordsCymbopetalum brasiliense; Magnolia obovata; Magnolia officinalis; Parabaena megalocarpa; Parabaena sagittata; Parabaena tuberculata; Phellodendron amurense; Phellodendron chinense; Phellodendron chinese; Polyalthia nemoralis; Thalictrum foliolosum; Tinospora Crispa; Tinospora baenzigeri; Tinospora capillipes; Tinospora cordifolia; Tinospora crispa; Tinospora glabra; Tinospora merrilliana; Tinospora sagittata; Tinospora sinensis; Tinospora smilacina; Xylopia holtzii; Xylopia parviflora; Zanthoxylum chalybaeum; Zanthoxylum chalybeum; Zanthoxylum gilletii; Zanthoxylum martinicense; Zanthoxylum mayu; Zanthoxylum nitidum; Zanthoxylum rhoifolium
COCONUT organism records32
COCONUT identifierCNP0316870.1

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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