Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 61539
- Core Entity Id
- 108557
- Source Entity Count
- 1
- Preferred Name
- Yajeine
- Name En
- Pubchem Id
- 5280953
- Smiles Canonical
- CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC
- Molecular Formula
- C13H12N2O
- Molecular Weight
- 212.2700
- Inchikey
- BXNJHAXVSOCGBA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- 56.8002
- Mol Logp
- 3.6000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 37.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Yajeine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
56.80021767
Suppress
0
Molecule Weight
212.27