Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72829
- Core Entity Id
- 135478
- Source Entity Count
- 1
- Preferred Name
- isoquinolin-7-ol
- Name En
- Pubchem Id
- 459767
- Smiles Canonical
- C1=CC(=CC2=C1C=CN=C2)O
- Molecular Formula
- C9H7NO
- Molecular Weight
- 145.0500
- Inchikey
- WCRKBMABEPCYII-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H7NO/c11-9-2-1-7-3-4-10-6-8(7)5-9/h1-6,11H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.9000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 33.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
isoquinolin-7-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
isoquinolin-7-ol
Itcmdb Generated
ITX-INGREDIENT-63AE166EA74F
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
145.050
Molecular Formula
C9H7NO
Fda Maximum Daily Dose (Fdamdd)
0.286
Quantitative Estimate Of Drug Likeness（Qed）
0.614