Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66733
- Core Entity Id
- 129382
- Source Entity Count
- 1
- Preferred Name
- 1-Methyl-L-tryptophan
- Name En
- Pubchem Id
- 676159
- Smiles Canonical
- CN1C=C(C2=CC=CC=C21)CC(C(=O)O)N
- Molecular Formula
- C12H14N2O2
- Molecular Weight
- 218.1100
- Inchikey
- ZADWXFSZEAPBJS-JTQLQIEISA-N
- Inchi
- InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.3000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 68.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Methyl-L-tryptophan
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-Methyl-L-tryptophan
Itcmdb Generated
ITX-INGREDIENT-F54C4A392F9B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
218.110
Molecular Formula
C12H14N2O2
Fda Maximum Daily Dose (Fdamdd)
0.092
Quantitative Estimate Of Drug Likeness（Qed）
0.811