Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 13Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 73851
- Core Entity Id
- 136500
- Source Entity Count
- 1
- Preferred Name
- n-acetyltryptophan
- Name En
- Pubchem Id
- 2002
- Smiles Canonical
- CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O
- Molecular Formula
- C13H14N2O3
- Molecular Weight
- 246.1000
- Inchikey
- DZTHIGRZJZPRDV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.1000
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 82.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
n-acetyltryptophan
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
n-acetyltryptophan
Itcmdb Generated
ITX-INGREDIENT-D6E18611D2CF
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
246.100
Molecular Formula
C13H14N2O3
Fda Maximum Daily Dose (Fdamdd)
0.039
Quantitative Estimate Of Drug Likeness（Qed）
0.760