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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Thalphenine

C21H22NO4+

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
14

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Thalphenine
Molecular Formula
C21H22NO4+
Molecular Weight
No data
Canonical SMILES
C[N+]1(CCC2=CC(=C3C4=C2C1CC5=CC6=C(C(=C54)CO3)OCO6)OC)C
Isomeric SMILES
C[N+]1(CCC2=CC(=C3C4=C2[C@@H]1CC5=CC6=C(C(=C54)CO3)OCO6)OC)C
InChI
InChI=1S/C21H22NO4/c1-22(2)5-4-11-7-15(23-3)21-19-17-12(6-14(22)18(11)19)8-16-20(26-10-25-16)13(17)9-24-21/h7-8,14H,4-6,9-10H2,1-3H3/q+1/t14-/m0/s1
Oral Bioavailability
0.403
Drug Likeness
0.739
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
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