Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 4Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72830
- Core Entity Id
- 135479
- Source Entity Count
- 1
- Preferred Name
- isoquinoline
- Name En
- Pubchem Id
- 8405
- Smiles Canonical
- C1=CC=C2C=NC=CC2=C1
- Molecular Formula
- C9H7N
- Molecular Weight
- 129.0600
- Inchikey
- AWJUIBRHMBBTKR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.1000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 12.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
isoquinoline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
isoquinoline
Itcmdb Generated
ITX-INGREDIENT-EF60435DF6E6
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
129.060
Molecular Formula
C9H7N
Fda Maximum Daily Dose (Fdamdd)
0.096
Quantitative Estimate Of Drug Likeness（Qed）
0.531