Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 61178
- Core Entity Id
- 108196
- Source Entity Count
- 1
- Preferred Name
- Chinoinin
- Name En
- Pubchem Id
- 5358385
- Smiles Canonical
- C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O
- Molecular Formula
- C19H18O11
- Molecular Weight
- 422.3700
- Inchikey
- AEDDIBAIWPIIBD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2
- Isomeric Smiles
- Cas Id
- Ob Score
- 13.7053
- Mol Logp
- -0.4000
- Num H Donors
- 8
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 197.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Chinoinin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Pub Chem
5358385
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
13.70534587
Suppress
0
Molecule Weight
422.37