Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 6Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72981
- Core Entity Id
- 135630
- Source Entity Count
- 1
- Preferred Name
- Kaemperide
- Name En
- Pubchem Id
- 5281666
- Smiles Canonical
- COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
- Molecular Formula
- C16H12O6
- Molecular Weight
- 300.0600
- Inchikey
- SQFSKOYWJBQGKQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.2000
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 96.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Kaemperide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Kaemperide
Itcmdb Generated
ITX-INGREDIENT-D80172AECE4B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
300.060
Molecular Formula
C16H12O6
Fda Maximum Daily Dose (Fdamdd)
0.237
Quantitative Estimate Of Drug Likeness（Qed）
0.672