Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 73619
- Core Entity Id
- 136268
- Source Entity Count
- 1
- Preferred Name
- methyl indole-3-acetate
- Name En
- Pubchem Id
- 74706
- Smiles Canonical
- COC(=O)CC1=CNC2=CC=CC=C21
- Molecular Formula
- C11H11NO2
- Molecular Weight
- 189.0800
- Inchikey
- KTHADMDGDNYQRX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.7000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 42.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
methyl indole-3-acetate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
methyl indole-3-acetate
Itcmdb Generated
ITX-INGREDIENT-4AC5DF4CCAFA
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
189.080
Molecular Formula
C11H11NO2
Fda Maximum Daily Dose (Fdamdd)
0.159
Quantitative Estimate Of Drug Likeness（Qed）
0.733