Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66725
- Core Entity Id
- 129374
- Source Entity Count
- 1
- Preferred Name
- 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
- Name En
- Pubchem Id
- 1388
- Smiles Canonical
- CN1CCC(=CC1)C2=CC=CC=C2
- Molecular Formula
- C12H15N
- Molecular Weight
- 173.1200
- Inchikey
- PLRACCBDVIHHLZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.7000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 3.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
Itcmdb Generated
ITX-INGREDIENT-30BFCFAB3556
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
173.120
Molecular Formula
C12H15N
Fda Maximum Daily Dose (Fdamdd)
0.690
Quantitative Estimate Of Drug Likeness（Qed）
0.630